1-(6-chloro-1,2,3,4-tetrahydroquinolin-4-yl)-N-methylmethanamine

C11H15ClN2 — CID 105464651

IUPAC1-(6-chloro-1,2,3,4-tetrahydroquinolin-4-yl)-N-methylmethanamine
SMILESCNCC1CCNc2ccc(Cl)cc21
InChIInChI=1S/C11H15ClN2/c1-13-7-8-4-5-14-11-3-2-9(12)6-10(8)11/h2-3,6,8,13-14H,4-5,7H2,1H3
InChIKeyNSJAFMVDUQGLQB-UHFFFAOYSA-N
MW210.71 g/mol
LogP2.46
Rot. Bonds2

About 1-(6-chloro-1,2,3,4-tetrahydroquinolin-4-yl)-N-methylmethanamine

1-(6-chloro-1,2,3,4-tetrahydroquinolin-4-yl)-N-methylmethanamine (PubChem CID 105464651) has the molecular formula C11H15ClN2 and a molecular weight of 210.71 g/mol. Its IUPAC name is 1-(6-chloro-1,2,3,4-tetrahydroquinolin-4-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(6-chloro-1,2,3,4-tetrahydroquinolin-4-yl)-N-methylmethanamine
PubChem CID105464651
Molecular FormulaC11H15ClN2
Molecular Weight210.71 g/mol
Exact Mass210.09
IUPAC Name1-(6-chloro-1,2,3,4-tetrahydroquinolin-4-yl)-N-methylmethanamine
SMILESCNCC1CCNc2ccc(Cl)cc21
InChIInChI=1S/C11H15ClN2/c1-13-7-8-4-5-14-11-3-2-9(12)6-10(8)11/h2-3,6,8,13-14H,4-5,7H2,1H3
InChIKeyNSJAFMVDUQGLQB-UHFFFAOYSA-N
XLogP2.46
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.71
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(1,2,3,4-tetrahydroquinolin-4-yl)methanamine;hydrochloride
CID 165145771
6-chloro-4-propan-2-yl-1,2,3,4-tetrahydroquinoline
CID 105463734
(3R)-5-chloro-3-ethyl-2,3-dihydro-1H-indole
CID 95430825
9-chloro-1,2,3,3a,4,5,6,10b-octahydropyrrolo[3,2-d][1]benzazepine
CID 171725247
1-(7-chloro-3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine
CID 54133919
1-(5-chloro-2,3-dihydro-1H-indol-2-yl)-N-methylmethanamine
CID 83868576
5-chloro-3-(cyclopentylmethyl)-2,3-dihydro-1H-indole
CID 106985998
7-chloro-4-methyl-1,2,3,4-tetrahydroquinoline
CID 16744775
(4S)-4-benzyl-7-chloro-1,2,3,4-tetrahydroquinoline
CID 56590209
2-(5-chloro-2,3-dihydro-1H-indol-3-yl)acetaldehyde
CID 112711571
1-(5-ethoxy-2,3-dihydro-1H-indol-3-yl)-N-methylmethanamine
CID 83860271
6-fluoro-4-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline
CID 105460978

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-1,2,3,4-tetrahydroquinolin-4-yl)-N-methylmethanamine?
The IUPAC name of 1-(6-chloro-1,2,3,4-tetrahydroquinolin-4-yl)-N-methylmethanamine (CID 105464651) is 1-(6-chloro-1,2,3,4-tetrahydroquinolin-4-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(6-chloro-1,2,3,4-tetrahydroquinolin-4-yl)-N-methylmethanamine?
The canonical SMILES for 1-(6-chloro-1,2,3,4-tetrahydroquinolin-4-yl)-N-methylmethanamine is CNCC1CCNc2ccc(Cl)cc21.
What is the InChIKey of 1-(6-chloro-1,2,3,4-tetrahydroquinolin-4-yl)-N-methylmethanamine?
The InChIKey is NSJAFMVDUQGLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2/c1-13-7-8-4-5-14-11-3-2-9(12)6-10(8)11/h2-3,6,8,13-14H,4-5,7H2,1H3.
What are the key properties of 1-(6-chloro-1,2,3,4-tetrahydroquinolin-4-yl)-N-methylmethanamine?
1-(6-chloro-1,2,3,4-tetrahydroquinolin-4-yl)-N-methylmethanamine has a molecular weight of 210.71 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-1,2,3,4-tetrahydroquinolin-4-yl)-N-methylmethanamine is sourced from PubChem (CID 105464651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).