N-[(3,5-dichlorophenyl)methyl]-1-quinolin-8-ylmethanamine

C17H14Cl2N2 — CID 78980821

IUPACN-[(3,5-dichlorophenyl)methyl]-1-quinolin-8-ylmethanamine
SMILESClc1cc(Cl)cc(CNCc2cccc3cccnc23)c1
InChIInChI=1S/C17H14Cl2N2/c18-15-7-12(8-16(19)9-15)10-20-11-14-4-1-3-13-5-2-6-21-17(13)14/h1-9,20H,10-11H2
InChIKeyNTGJAIYWPBGYGJ-UHFFFAOYSA-N
MW317.22 g/mol
LogP4.83
Rot. Bonds4

About N-[(3,5-dichlorophenyl)methyl]-1-quinolin-8-ylmethanamine

N-[(3,5-dichlorophenyl)methyl]-1-quinolin-8-ylmethanamine (PubChem CID 78980821) has the molecular formula C17H14Cl2N2 and a molecular weight of 317.22 g/mol. Its IUPAC name is N-[(3,5-dichlorophenyl)methyl]-1-quinolin-8-ylmethanamine.

Molecular Properties

Compound NameN-[(3,5-dichlorophenyl)methyl]-1-quinolin-8-ylmethanamine
PubChem CID78980821
Molecular FormulaC17H14Cl2N2
Molecular Weight317.22 g/mol
Exact Mass316.05
IUPAC NameN-[(3,5-dichlorophenyl)methyl]-1-quinolin-8-ylmethanamine
SMILESClc1cc(Cl)cc(CNCc2cccc3cccnc23)c1
InChIInChI=1S/C17H14Cl2N2/c18-15-7-12(8-16(19)9-15)10-20-11-14-4-1-3-13-5-2-6-21-17(13)14/h1-9,20H,10-11H2
InChIKeyNTGJAIYWPBGYGJ-UHFFFAOYSA-N
XLogP4.83
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(pyrimidin-5-ylmethyl)-1-quinolin-8-ylmethanamine
CID 78921379
N-[(3,5-dichlorophenyl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine
CID 60859308
1-(furan-3-yl)-N-(quinolin-8-ylmethyl)methanamine
CID 113224554
1-(2,3-dimethylphenyl)-N-(quinolin-8-ylmethyl)methanamine
CID 78980832
2-chloro-N-(quinolin-8-ylmethyl)prop-2-en-1-amine
CID 79003767
N-(1H-pyrrol-2-ylmethyl)-1-quinolin-8-ylmethanamine
CID 81428748
6-chloro-N-(quinolin-8-ylmethyl)hexan-1-amine
CID 107845431
2,2,2-trifluoro-N-(quinolin-8-ylmethyl)ethanamine
CID 28608711
1-methyl-4-[(quinolin-8-ylmethylamino)methyl]pyrrole-2-carbonitrile
CID 103203473
3-fluoro-N-(quinolin-8-ylmethyl)propan-1-amine
CID 81435594
2-(quinolin-8-ylmethylamino)acetic acid
CID 43135065
N-(quinolin-8-ylmethyl)butan-1-amine
CID 28613793

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichlorophenyl)methyl]-1-quinolin-8-ylmethanamine?
The IUPAC name of N-[(3,5-dichlorophenyl)methyl]-1-quinolin-8-ylmethanamine (CID 78980821) is N-[(3,5-dichlorophenyl)methyl]-1-quinolin-8-ylmethanamine.
What is the SMILES notation for N-[(3,5-dichlorophenyl)methyl]-1-quinolin-8-ylmethanamine?
The canonical SMILES for N-[(3,5-dichlorophenyl)methyl]-1-quinolin-8-ylmethanamine is Clc1cc(Cl)cc(CNCc2cccc3cccnc23)c1.
What is the InChIKey of N-[(3,5-dichlorophenyl)methyl]-1-quinolin-8-ylmethanamine?
The InChIKey is NTGJAIYWPBGYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2/c18-15-7-12(8-16(19)9-15)10-20-11-14-4-1-3-13-5-2-6-21-17(13)14/h1-9,20H,10-11H2.
What are the key properties of N-[(3,5-dichlorophenyl)methyl]-1-quinolin-8-ylmethanamine?
N-[(3,5-dichlorophenyl)methyl]-1-quinolin-8-ylmethanamine has a molecular weight of 317.22 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichlorophenyl)methyl]-1-quinolin-8-ylmethanamine is sourced from PubChem (CID 78980821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).