4-(2-aminopropyl)-2-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]aniline

C16H21ClN2O — CID 81165610

IUPAC4-(2-aminopropyl)-2-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]aniline
SMILESCc1ccc(CN(C)c2ccc(CC(C)N)cc2Cl)o1
InChIInChI=1S/C16H21ClN2O/c1-11(18)8-13-5-7-16(15(17)9-13)19(3)10-14-6-4-12(2)20-14/h4-7,9,11H,8,10,18H2,1-3H3
InChIKeyLNPYOGZAHKJNOY-UHFFFAOYSA-N
MW292.81 g/mol
LogP3.77
Rot. Bonds5

About 4-(2-aminopropyl)-2-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]aniline

4-(2-aminopropyl)-2-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]aniline (PubChem CID 81165610) has the molecular formula C16H21ClN2O and a molecular weight of 292.81 g/mol. Its IUPAC name is 4-(2-aminopropyl)-2-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]aniline.

Molecular Properties

Compound Name4-(2-aminopropyl)-2-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]aniline
PubChem CID81165610
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC Name4-(2-aminopropyl)-2-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]aniline
SMILESCc1ccc(CN(C)c2ccc(CC(C)N)cc2Cl)o1
InChIInChI=1S/C16H21ClN2O/c1-11(18)8-13-5-7-16(15(17)9-13)19(3)10-14-6-4-12(2)20-14/h4-7,9,11H,8,10,18H2,1-3H3
InChIKeyLNPYOGZAHKJNOY-UHFFFAOYSA-N
XLogP3.77
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-aminobutyl)-2-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]aniline
CID 81159206
1-[3-chloro-4-[methyl-[(5-methylfuran-2-yl)methyl]amino]phenyl]ethanol
CID 62907848
N'-[4-(2-aminopropyl)-2-chlorophenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 81165775
5-(2-aminopropyl)-N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyridin-2-amine
CID 80633813
4-(2-aminopropyl)-N-(furan-2-ylmethyl)-N,2-dimethylaniline
CID 63786459
4-(2-aminopropyl)-2-chloro-N-methyl-N-(3-methylbutan-2-yl)aniline
CID 81165921
4-(2-aminopropyl)-2-chloro-N-ethyl-N-propan-2-ylaniline
CID 81165839
N-[4-(2-aminopropyl)-2-chlorophenyl]-1-ethyl-N-methylpiperidin-4-amine
CID 81159630
4-[(1R)-1-aminoethyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]aniline
CID 78936162
4-bromo-2-N-methyl-2-N-[(5-methylfuran-2-yl)methyl]benzene-1,2-diamine
CID 65343166
4-(2-aminobutyl)-2-chloro-N-methyl-N-(2-methylbutyl)aniline
CID 81166065
4-(2-aminopropyl)-2-chloro-N,N-bis(2-methoxyethyl)aniline
CID 81166314

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropyl)-2-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]aniline?
The IUPAC name of 4-(2-aminopropyl)-2-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]aniline (CID 81165610) is 4-(2-aminopropyl)-2-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]aniline.
What is the SMILES notation for 4-(2-aminopropyl)-2-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]aniline?
The canonical SMILES for 4-(2-aminopropyl)-2-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]aniline is Cc1ccc(CN(C)c2ccc(CC(C)N)cc2Cl)o1.
What is the InChIKey of 4-(2-aminopropyl)-2-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]aniline?
The InChIKey is LNPYOGZAHKJNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O/c1-11(18)8-13-5-7-16(15(17)9-13)19(3)10-14-6-4-12(2)20-14/h4-7,9,11H,8,10,18H2,1-3H3.
What are the key properties of 4-(2-aminopropyl)-2-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]aniline?
4-(2-aminopropyl)-2-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]aniline has a molecular weight of 292.81 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropyl)-2-chloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]aniline is sourced from PubChem (CID 81165610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).