N-[(4-ethoxyphenyl)methyl]quinolin-6-amine

C18H18N2O — CID 62636132

IUPACN-[(4-ethoxyphenyl)methyl]quinolin-6-amine
SMILESCCOc1ccc(CNc2ccc3ncccc3c2)cc1
InChIInChI=1S/C18H18N2O/c1-2-21-17-8-5-14(6-9-17)13-20-16-7-10-18-15(12-16)4-3-11-19-18/h3-12,20H,2,13H2,1H3
InChIKeyYFDSTMHDMIOQBM-UHFFFAOYSA-N
MW278.36 g/mol
LogP4.25
Rot. Bonds5

About N-[(4-ethoxyphenyl)methyl]quinolin-6-amine

N-[(4-ethoxyphenyl)methyl]quinolin-6-amine (PubChem CID 62636132) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]quinolin-6-amine.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]quinolin-6-amine
PubChem CID62636132
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC NameN-[(4-ethoxyphenyl)methyl]quinolin-6-amine
SMILESCCOc1ccc(CNc2ccc3ncccc3c2)cc1
InChIInChI=1S/C18H18N2O/c1-2-21-17-8-5-14(6-9-17)13-20-16-7-10-18-15(12-16)4-3-11-19-18/h3-12,20H,2,13H2,1H3
InChIKeyYFDSTMHDMIOQBM-UHFFFAOYSA-N
XLogP4.25
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-ethoxyphenyl)methyl]quinolin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3,5-dimethoxyphenyl)methyl]quinolin-6-amine
CID 165347661
N-[(3,4-dimethylphenyl)methyl]quinolin-6-amine
CID 62634241
N-[(1-ethylpyrrol-3-yl)methyl]quinolin-6-amine
CID 66415969
N-(pyridin-3-ylmethyl)quinolin-6-amine
CID 53392291
2-[4-[(quinolin-7-ylamino)methyl]phenoxy]ethanol
CID 39746224
N-(furan-3-ylmethyl)quinolin-6-amine
CID 63204697
4-chloro-3-fluoro-N-(quinolin-6-ylmethyl)aniline
CID 61470243
3,5-dimethyl-N-(quinolin-6-ylmethyl)aniline
CID 28776356
2,6-difluoro-4-[(quinolin-6-ylamino)methyl]phenol
CID 79883860
2-ethoxy-N-[(4-ethoxyphenyl)methyl]pyridin-3-amine
CID 43706214
3-bromo-5-methoxy-N-(quinolin-6-ylmethyl)aniline
CID 82860690
4-[(4-ethoxyanilino)methyl]phenol
CID 3271066

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]quinolin-6-amine?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]quinolin-6-amine (CID 62636132) is N-[(4-ethoxyphenyl)methyl]quinolin-6-amine.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]quinolin-6-amine?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]quinolin-6-amine is CCOc1ccc(CNc2ccc3ncccc3c2)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]quinolin-6-amine?
The InChIKey is YFDSTMHDMIOQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-2-21-17-8-5-14(6-9-17)13-20-16-7-10-18-15(12-16)4-3-11-19-18/h3-12,20H,2,13H2,1H3.
What are the key properties of N-[(4-ethoxyphenyl)methyl]quinolin-6-amine?
N-[(4-ethoxyphenyl)methyl]quinolin-6-amine has a molecular weight of 278.36 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]quinolin-6-amine is sourced from PubChem (CID 62636132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).