1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3,4-dihydro-2H-naphthalen-1-amine

C17H21ClN2S — CID 61438260

IUPAC1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3,4-dihydro-2H-naphthalen-1-amine
SMILESCN(Cc1ccc(Cl)s1)C1(CN)CCCc2ccccc21
InChIInChI=1S/C17H21ClN2S/c1-20(11-14-8-9-16(18)21-14)17(12-19)10-4-6-13-5-2-3-7-15(13)17/h2-3,5,7-9H,4,6,10-12,19H2,1H3
InChIKeyNMQKRSAHZODIAJ-UHFFFAOYSA-N
MW320.89 g/mol
LogP4.02
Rot. Bonds4

About 1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3,4-dihydro-2H-naphthalen-1-amine

1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3,4-dihydro-2H-naphthalen-1-amine (PubChem CID 61438260) has the molecular formula C17H21ClN2S and a molecular weight of 320.89 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3,4-dihydro-2H-naphthalen-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3,4-dihydro-2H-naphthalen-1-amine
PubChem CID61438260
Molecular FormulaC17H21ClN2S
Molecular Weight320.89 g/mol
Exact Mass320.11
IUPAC Name1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3,4-dihydro-2H-naphthalen-1-amine
SMILESCN(Cc1ccc(Cl)s1)C1(CN)CCCc2ccccc21
InChIInChI=1S/C17H21ClN2S/c1-20(11-14-8-9-16(18)21-14)17(12-19)10-4-6-13-5-2-3-7-15(13)17/h2-3,5,7-9H,4,6,10-12,19H2,1H3
InChIKeyNMQKRSAHZODIAJ-UHFFFAOYSA-N
XLogP4.02
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.89
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3,4-dihydro-2H-naphthalen-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(aminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-naphthalen-1-amine
CID 43527448
1-(aminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]-3,4-dihydro-2H-naphthalen-1-amine
CID 61426621
1-(aminomethyl)-N-methyl-N-(2-methylpropyl)-3,4-dihydro-2H-naphthalen-1-amine
CID 43271968
2-N-[1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103188087
1-(aminomethyl)-N-ethyl-N-propan-2-yl-3,4-dihydro-2H-naphthalen-1-amine
CID 43265604
1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N,2-dimethylcyclohexan-1-amine
CID 61438166
2-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylbicyclo[3.1.0]hexan-2-amine
CID 112740228
4-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1-propan-2-ylazepan-4-amine
CID 65078125
2-[1-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]cyclopropyl]ethanamine
CID 65480533
1-(aminomethyl)-N-(cyclopropylmethyl)-N-propyl-3,4-dihydro-2H-naphthalen-1-amine
CID 60710061
[(1R)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methanamine
CID 94565802
2-[2-(aminomethyl)phenyl]-N-[(5-chlorothiophen-2-yl)methyl]-N-methylethanamine
CID 81322722

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3,4-dihydro-2H-naphthalen-1-amine?
The IUPAC name of 1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3,4-dihydro-2H-naphthalen-1-amine (CID 61438260) is 1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3,4-dihydro-2H-naphthalen-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3,4-dihydro-2H-naphthalen-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3,4-dihydro-2H-naphthalen-1-amine is CN(Cc1ccc(Cl)s1)C1(CN)CCCc2ccccc21.
What is the InChIKey of 1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3,4-dihydro-2H-naphthalen-1-amine?
The InChIKey is NMQKRSAHZODIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2S/c1-20(11-14-8-9-16(18)21-14)17(12-19)10-4-6-13-5-2-3-7-15(13)17/h2-3,5,7-9H,4,6,10-12,19H2,1H3.
What are the key properties of 1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3,4-dihydro-2H-naphthalen-1-amine?
1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3,4-dihydro-2H-naphthalen-1-amine has a molecular weight of 320.89 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3,4-dihydro-2H-naphthalen-1-amine is sourced from PubChem (CID 61438260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).