N-[(4-ethylphenyl)methyl]quinolin-3-amine

C18H18N2 — CID 43691167

IUPACN-[(4-ethylphenyl)methyl]quinolin-3-amine
SMILESCCc1ccc(CNc2cnc3ccccc3c2)cc1
InChIInChI=1S/C18H18N2/c1-2-14-7-9-15(10-8-14)12-19-17-11-16-5-3-4-6-18(16)20-13-17/h3-11,13,19H,2,12H2,1H3
InChIKeyVHPCPUPSJJNQGR-UHFFFAOYSA-N
MW262.36 g/mol
LogP4.41
Rot. Bonds4

About N-[(4-ethylphenyl)methyl]quinolin-3-amine

N-[(4-ethylphenyl)methyl]quinolin-3-amine (PubChem CID 43691167) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]quinolin-3-amine.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]quinolin-3-amine
PubChem CID43691167
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC NameN-[(4-ethylphenyl)methyl]quinolin-3-amine
SMILESCCc1ccc(CNc2cnc3ccccc3c2)cc1
InChIInChI=1S/C18H18N2/c1-2-14-7-9-15(10-8-14)12-19-17-11-16-5-3-4-6-18(16)20-13-17/h3-11,13,19H,2,12H2,1H3
InChIKeyVHPCPUPSJJNQGR-UHFFFAOYSA-N
XLogP4.41
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-fluoro-4-methylphenyl)methyl]quinolin-3-amine
CID 63644523
N-[(1-methylpyrazol-4-yl)methyl]quinolin-3-amine
CID 43691138
N-[(4-bromo-3-fluorophenyl)methyl]quinolin-3-amine
CID 81436143
N-[(2-ethoxyphenyl)methyl]quinolin-3-amine
CID 43691162
N-(quinolin-3-ylmethyl)aniline
CID 12573835
N-(3-methylbutyl)quinolin-3-amine
CID 43691203
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]quinolin-3-amine
CID 43691291
2-(quinolin-3-ylamino)acetaldehyde
CID 119094980
2-[(quinolin-3-ylamino)methyl]benzonitrile
CID 104694112
N-[(5-chloro-1,3-thiazol-2-yl)methyl]quinolin-3-amine
CID 104877930
N-[(4-bromothiophen-2-yl)methyl]quinolin-3-amine
CID 43691316
N-[(5-chlorothiophen-2-yl)methyl]quinolin-3-amine
CID 43691132

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]quinolin-3-amine?
The IUPAC name of N-[(4-ethylphenyl)methyl]quinolin-3-amine (CID 43691167) is N-[(4-ethylphenyl)methyl]quinolin-3-amine.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]quinolin-3-amine?
The canonical SMILES for N-[(4-ethylphenyl)methyl]quinolin-3-amine is CCc1ccc(CNc2cnc3ccccc3c2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]quinolin-3-amine?
The InChIKey is VHPCPUPSJJNQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2/c1-2-14-7-9-15(10-8-14)12-19-17-11-16-5-3-4-6-18(16)20-13-17/h3-11,13,19H,2,12H2,1H3.
What are the key properties of N-[(4-ethylphenyl)methyl]quinolin-3-amine?
N-[(4-ethylphenyl)methyl]quinolin-3-amine has a molecular weight of 262.36 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]quinolin-3-amine is sourced from PubChem (CID 43691167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).