N-[[5-[(2-chloro-5-methylphenoxy)methyl]thiophen-2-yl]methyl]cyclopropanamine

C16H18ClNOS — CID 107558731

IUPACN-[[5-[(2-chloro-5-methylphenoxy)methyl]thiophen-2-yl]methyl]cyclopropanamine
SMILESCc1ccc(Cl)c(OCc2ccc(CNC3CC3)s2)c1
InChIInChI=1S/C16H18ClNOS/c1-11-2-7-15(17)16(8-11)19-10-14-6-5-13(20-14)9-18-12-3-4-12/h2,5-8,12,18H,3-4,9-10H2,1H3
InChIKeyVMEJGGCQZCWCKX-UHFFFAOYSA-N
MW307.85 g/mol
LogP4.54
Rot. Bonds6

About N-[[5-[(2-chloro-5-methylphenoxy)methyl]thiophen-2-yl]methyl]cyclopropanamine

N-[[5-[(2-chloro-5-methylphenoxy)methyl]thiophen-2-yl]methyl]cyclopropanamine (PubChem CID 107558731) has the molecular formula C16H18ClNOS and a molecular weight of 307.85 g/mol. Its IUPAC name is N-[[5-[(2-chloro-5-methylphenoxy)methyl]thiophen-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[(2-chloro-5-methylphenoxy)methyl]thiophen-2-yl]methyl]cyclopropanamine
PubChem CID107558731
Molecular FormulaC16H18ClNOS
Molecular Weight307.85 g/mol
Exact Mass307.08
IUPAC NameN-[[5-[(2-chloro-5-methylphenoxy)methyl]thiophen-2-yl]methyl]cyclopropanamine
SMILESCc1ccc(Cl)c(OCc2ccc(CNC3CC3)s2)c1
InChIInChI=1S/C16H18ClNOS/c1-11-2-7-15(17)16(8-11)19-10-14-6-5-13(20-14)9-18-12-3-4-12/h2,5-8,12,18H,3-4,9-10H2,1H3
InChIKeyVMEJGGCQZCWCKX-UHFFFAOYSA-N
XLogP4.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.85
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[5-[(2-chloro-5-methylphenoxy)methyl]thiophen-2-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[5-[(2-fluoro-5-methylphenoxy)methyl]thiophen-2-yl]methyl]cyclopropanamine
CID 107559009
N-[[5-[(2-chloro-4-fluorophenoxy)methyl]thiophen-2-yl]methyl]cyclopropanamine
CID 107558290
N-[[5-[(2-chloro-5-methylphenoxy)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107558732
N-[[3-[(2-chloro-4-methylphenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62673446
N-[[5-[(2-chloro-4-methylphenoxy)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62673103
N-[[5-[(2-chloro-5-methylphenoxy)methyl]oxolan-2-yl]methyl]cyclopropanamine
CID 62486419
N-[[4-(2-chloro-5-methylphenoxy)-3-methylphenyl]methyl]cyclopropanamine
CID 63550539
N-[[5-[(2,5-dichlorophenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 62450215
N-[[4-(2-chloro-5-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62322053
N-[[5-(3,4-dichlorophenyl)thiophen-2-yl]methyl]cyclopropanamine
CID 43275244
N-[[2-[(2,5-dimethylphenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62452512
N-[[5-[(4,4-dimethylcyclohexyl)oxymethyl]thiophen-2-yl]methyl]cyclopropanamine
CID 107559313

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2-chloro-5-methylphenoxy)methyl]thiophen-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[(2-chloro-5-methylphenoxy)methyl]thiophen-2-yl]methyl]cyclopropanamine (CID 107558731) is N-[[5-[(2-chloro-5-methylphenoxy)methyl]thiophen-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[(2-chloro-5-methylphenoxy)methyl]thiophen-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[(2-chloro-5-methylphenoxy)methyl]thiophen-2-yl]methyl]cyclopropanamine is Cc1ccc(Cl)c(OCc2ccc(CNC3CC3)s2)c1.
What is the InChIKey of N-[[5-[(2-chloro-5-methylphenoxy)methyl]thiophen-2-yl]methyl]cyclopropanamine?
The InChIKey is VMEJGGCQZCWCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNOS/c1-11-2-7-15(17)16(8-11)19-10-14-6-5-13(20-14)9-18-12-3-4-12/h2,5-8,12,18H,3-4,9-10H2,1H3.
What are the key properties of N-[[5-[(2-chloro-5-methylphenoxy)methyl]thiophen-2-yl]methyl]cyclopropanamine?
N-[[5-[(2-chloro-5-methylphenoxy)methyl]thiophen-2-yl]methyl]cyclopropanamine has a molecular weight of 307.85 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2-chloro-5-methylphenoxy)methyl]thiophen-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 107558731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).