N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine

C16H21ClN2OS — CID 62428902

IUPACN-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
SMILESCc1oc(CN(C)Cc2ccc(Cl)s2)cc1CNC1CC1
InChIInChI=1S/C16H21ClN2OS/c1-11-12(8-18-13-3-4-13)7-14(20-11)9-19(2)10-15-5-6-16(17)21-15/h5-7,13,18H,3-4,8-10H2,1-2H3
InChIKeyXGHOXHIORDLPEV-UHFFFAOYSA-N
MW324.88 g/mol
LogP4.19
Rot. Bonds7

About N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine

N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine (PubChem CID 62428902) has the molecular formula C16H21ClN2OS and a molecular weight of 324.88 g/mol. Its IUPAC name is N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
PubChem CID62428902
Molecular FormulaC16H21ClN2OS
Molecular Weight324.88 g/mol
Exact Mass324.11
IUPAC NameN-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
SMILESCc1oc(CN(C)Cc2ccc(Cl)s2)cc1CNC1CC1
InChIInChI=1S/C16H21ClN2OS/c1-11-12(8-18-13-3-4-13)7-14(20-11)9-19(2)10-15-5-6-16(17)21-15/h5-7,13,18H,3-4,8-10H2,1-2H3
InChIKeyXGHOXHIORDLPEV-UHFFFAOYSA-N
XLogP4.19
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.88
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-2-methylfuran-3-yl]methyl]propan-2-amine
CID 62428901
N-[[2-methyl-5-[[methyl(2-methylpropyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 62422031
N-[[4-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-5-methylfuran-2-yl]methyl]ethanamine
CID 62430691
5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-2-methylfuran-3-carbohydrazide
CID 63584688
N-[[2-methyl-5-[[2-methylpropyl(propan-2-yl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 62447647
N-[(5-chlorothiophen-2-yl)methyl]-5-[(cyclopropylamino)methyl]-N,2-dimethylpyridin-4-amine
CID 81248839
N-[[4-[[ethyl(methyl)amino]methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 62419504
N-[[5-[(cyclopropylamino)methyl]-2-methylfuran-3-yl]methyl]-N,1-dimethylpiperidin-4-amine
CID 62423023
N-[[5-[(cyclopropylamino)methyl]-2-methylfuran-3-yl]methyl]-2-fluoro-N-methylaniline
CID 62435269
N-[[5-[(cyclopropylamino)methyl]-2-methylfuran-3-yl]methyl]-N,3-dimethylaniline
CID 62434975
N-[[4-(diethylaminomethyl)-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 62439401
1-[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]-N-methylmethanamine
CID 107556205

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine (CID 62428902) is N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine is Cc1oc(CN(C)Cc2ccc(Cl)s2)cc1CNC1CC1.
What is the InChIKey of N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine?
The InChIKey is XGHOXHIORDLPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2OS/c1-11-12(8-18-13-3-4-13)7-14(20-11)9-19(2)10-15-5-6-16(17)21-15/h5-7,13,18H,3-4,8-10H2,1-2H3.
What are the key properties of N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine?
N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine has a molecular weight of 324.88 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62428902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).