[3-chloro-4-(quinolin-2-ylmethoxy)phenyl]methanamine

C17H15ClN2O — CID 61389098

IUPAC[3-chloro-4-(quinolin-2-ylmethoxy)phenyl]methanamine
SMILESNCc1ccc(OCc2ccc3ccccc3n2)c(Cl)c1
InChIInChI=1S/C17H15ClN2O/c18-15-9-12(10-19)5-8-17(15)21-11-14-7-6-13-3-1-2-4-16(13)20-14/h1-9H,10-11,19H2
InChIKeyXCCUDIFDEMHQKK-UHFFFAOYSA-N
MW298.77 g/mol
LogP3.93
Rot. Bonds4

About [3-chloro-4-(quinolin-2-ylmethoxy)phenyl]methanamine

[3-chloro-4-(quinolin-2-ylmethoxy)phenyl]methanamine (PubChem CID 61389098) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is [3-chloro-4-(quinolin-2-ylmethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3-chloro-4-(quinolin-2-ylmethoxy)phenyl]methanamine
PubChem CID61389098
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name[3-chloro-4-(quinolin-2-ylmethoxy)phenyl]methanamine
SMILESNCc1ccc(OCc2ccc3ccccc3n2)c(Cl)c1
InChIInChI=1S/C17H15ClN2O/c18-15-9-12(10-19)5-8-17(15)21-11-14-7-6-13-3-1-2-4-16(13)20-14/h1-9H,10-11,19H2
InChIKeyXCCUDIFDEMHQKK-UHFFFAOYSA-N
XLogP3.93
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[3-chloro-4-(quinolin-2-ylmethoxy)phenyl]acetate
CID 19087804
[4-(quinolin-2-ylmethoxy)phenyl]methanamine
CID 28773235
2-[[4-(chloromethyl)-2-fluorophenoxy]methyl]quinoline
CID 107691442
3,5-dichloro-4-(quinolin-2-ylmethoxy)aniline
CID 43351628
O-[4,4-bis[3-chloro-4-(quinolin-2-ylmethoxy)phenyl]pentyl]hydroxylamine
CID 22106653
3-[3-bromo-4-(quinolin-2-ylmethoxy)phenyl]-2-oxopropane-1-sulfonamide
CID 19087778
4-methyl-2-(quinolin-2-ylmethoxy)aniline
CID 28773260
[3-chloro-4-(1,2-oxazol-3-ylmethoxy)phenyl]methanamine
CID 117052559
2-[(2-bromo-4-methoxyphenoxy)methyl]quinoline
CID 104707445
2-[(4-chloro-3-fluorophenoxy)methyl]quinoline
CID 82727045
[3-chloro-4-[(3,5-dimethylphenyl)methoxy]phenyl]methanamine
CID 54983856
5-[3-chloro-4-(quinolin-2-ylmethoxy)phenyl]-4-pyridin-4-yl-1,2-oxazol-3-one
CID 44601094

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-(quinolin-2-ylmethoxy)phenyl]methanamine?
The IUPAC name of [3-chloro-4-(quinolin-2-ylmethoxy)phenyl]methanamine (CID 61389098) is [3-chloro-4-(quinolin-2-ylmethoxy)phenyl]methanamine.
What is the SMILES notation for [3-chloro-4-(quinolin-2-ylmethoxy)phenyl]methanamine?
The canonical SMILES for [3-chloro-4-(quinolin-2-ylmethoxy)phenyl]methanamine is NCc1ccc(OCc2ccc3ccccc3n2)c(Cl)c1.
What is the InChIKey of [3-chloro-4-(quinolin-2-ylmethoxy)phenyl]methanamine?
The InChIKey is XCCUDIFDEMHQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c18-15-9-12(10-19)5-8-17(15)21-11-14-7-6-13-3-1-2-4-16(13)20-14/h1-9H,10-11,19H2.
What are the key properties of [3-chloro-4-(quinolin-2-ylmethoxy)phenyl]methanamine?
[3-chloro-4-(quinolin-2-ylmethoxy)phenyl]methanamine has a molecular weight of 298.77 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-(quinolin-2-ylmethoxy)phenyl]methanamine is sourced from PubChem (CID 61389098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).