N-[(2-chlorophenyl)methyl]-N-methyl-1-(1,2,3,4-tetrahydroquinolin-3-yl)methanamine

C18H21ClN2 — CID 106902030

IUPACN-[(2-chlorophenyl)methyl]-N-methyl-1-(1,2,3,4-tetrahydroquinolin-3-yl)methanamine
SMILESCN(Cc1ccccc1Cl)CC1CNc2ccccc2C1
InChIInChI=1S/C18H21ClN2/c1-21(13-16-7-2-4-8-17(16)19)12-14-10-15-6-3-5-9-18(15)20-11-14/h2-9,14,20H,10-13H2,1H3
InChIKeyCSLXWSVDAIVZHS-UHFFFAOYSA-N
MW300.83 g/mol
LogP4.06
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-N-methyl-1-(1,2,3,4-tetrahydroquinolin-3-yl)methanamine

N-[(2-chlorophenyl)methyl]-N-methyl-1-(1,2,3,4-tetrahydroquinolin-3-yl)methanamine (PubChem CID 106902030) has the molecular formula C18H21ClN2 and a molecular weight of 300.83 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-methyl-1-(1,2,3,4-tetrahydroquinolin-3-yl)methanamine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N-methyl-1-(1,2,3,4-tetrahydroquinolin-3-yl)methanamine
PubChem CID106902030
Molecular FormulaC18H21ClN2
Molecular Weight300.83 g/mol
Exact Mass300.14
IUPAC NameN-[(2-chlorophenyl)methyl]-N-methyl-1-(1,2,3,4-tetrahydroquinolin-3-yl)methanamine
SMILESCN(Cc1ccccc1Cl)CC1CNc2ccccc2C1
InChIInChI=1S/C18H21ClN2/c1-21(13-16-7-2-4-8-17(16)19)12-14-10-15-6-3-5-9-18(15)20-11-14/h2-9,14,20H,10-13H2,1H3
InChIKeyCSLXWSVDAIVZHS-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-[(2-methylphenyl)methyl]-1-(1,2,3,4-tetrahydroquinolin-3-yl)methanamine
CID 106902024
N-methyl-N-[(2-methylfuran-3-yl)methyl]-1-(1,2,3,4-tetrahydroquinolin-3-yl)methanamine
CID 106902040
N-methyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)propan-2-amine
CID 106901949
N-methyl-2-pyrrolidin-1-yl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)ethanamine
CID 106902191
3,3,3-trifluoro-N-methyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)propan-1-amine
CID 106902239
N,2-dimethyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)butan-1-amine
CID 106901978
1-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine
CID 71304139
N-methyl-1-(oxan-2-yl)-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)methanamine
CID 106902048
3-[[(2-chlorophenyl)methyl-methylamino]methyl]cyclohexan-1-amine
CID 55145979
N,N-dimethyl-N'-(2-methylpropyl)-N'-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)ethane-1,2-diamine
CID 106902107
N-(cyclopropylmethyl)-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)prop-2-yn-1-amine
CID 106902297
(2S)-N-[(2-chlorophenyl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 61163671

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N-methyl-1-(1,2,3,4-tetrahydroquinolin-3-yl)methanamine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N-methyl-1-(1,2,3,4-tetrahydroquinolin-3-yl)methanamine (CID 106902030) is N-[(2-chlorophenyl)methyl]-N-methyl-1-(1,2,3,4-tetrahydroquinolin-3-yl)methanamine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-methyl-1-(1,2,3,4-tetrahydroquinolin-3-yl)methanamine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-methyl-1-(1,2,3,4-tetrahydroquinolin-3-yl)methanamine is CN(Cc1ccccc1Cl)CC1CNc2ccccc2C1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-methyl-1-(1,2,3,4-tetrahydroquinolin-3-yl)methanamine?
The InChIKey is CSLXWSVDAIVZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2/c1-21(13-16-7-2-4-8-17(16)19)12-14-10-15-6-3-5-9-18(15)20-11-14/h2-9,14,20H,10-13H2,1H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-N-methyl-1-(1,2,3,4-tetrahydroquinolin-3-yl)methanamine?
N-[(2-chlorophenyl)methyl]-N-methyl-1-(1,2,3,4-tetrahydroquinolin-3-yl)methanamine has a molecular weight of 300.83 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N-methyl-1-(1,2,3,4-tetrahydroquinolin-3-yl)methanamine is sourced from PubChem (CID 106902030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).