N-[(3,5-dimethoxyphenyl)methyl]quinolin-6-amine

C18H18N2O2 — CID 165347661

IUPACN-[(3,5-dimethoxyphenyl)methyl]quinolin-6-amine
SMILESCOc1cc(CNc2ccc3ncccc3c2)cc(OC)c1
InChIInChI=1S/C18H18N2O2/c1-21-16-8-13(9-17(11-16)22-2)12-20-15-5-6-18-14(10-15)4-3-7-19-18/h3-11,20H,12H2,1-2H3
InChIKeyDLQOSZDDSXSFIJ-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.86
Rot. Bonds5

About N-[(3,5-dimethoxyphenyl)methyl]quinolin-6-amine

N-[(3,5-dimethoxyphenyl)methyl]quinolin-6-amine (PubChem CID 165347661) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[(3,5-dimethoxyphenyl)methyl]quinolin-6-amine.

Molecular Properties

Compound NameN-[(3,5-dimethoxyphenyl)methyl]quinolin-6-amine
PubChem CID165347661
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC NameN-[(3,5-dimethoxyphenyl)methyl]quinolin-6-amine
SMILESCOc1cc(CNc2ccc3ncccc3c2)cc(OC)c1
InChIInChI=1S/C18H18N2O2/c1-21-16-8-13(9-17(11-16)22-2)12-20-15-5-6-18-14(10-15)4-3-7-19-18/h3-11,20H,12H2,1-2H3
InChIKeyDLQOSZDDSXSFIJ-UHFFFAOYSA-N
XLogP3.86
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-ethoxyphenyl)methyl]quinolin-6-amine
CID 62636132
3-bromo-5-methoxy-N-(quinolin-6-ylmethyl)aniline
CID 82860690
N-[(3,4-dimethylphenyl)methyl]quinolin-6-amine
CID 62634241
N-(pyridin-3-ylmethyl)quinolin-6-amine
CID 53392291
2,6-difluoro-4-[(quinolin-6-ylamino)methyl]phenol
CID 79883860
N-[(3,5-dimethoxyphenyl)methyl]-2-methylindazol-5-amine
CID 59778805
N-(furan-3-ylmethyl)quinolin-6-amine
CID 63204697
N-[(1-ethylpyrrol-3-yl)methyl]quinolin-6-amine
CID 66415969
N-(4-methoxyphenyl)-2-quinolin-6-yloxyacetamide
CID 112978693
6-[(3-methoxyphenyl)methyl]quinoline
CID 172878073
3,5-dimethyl-N-(quinolin-6-ylmethyl)aniline
CID 28776356
N-[(5-methyl-1H-imidazol-4-yl)methyl]quinolin-6-amine
CID 62743051

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]quinolin-6-amine?
The IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]quinolin-6-amine (CID 165347661) is N-[(3,5-dimethoxyphenyl)methyl]quinolin-6-amine.
What is the SMILES notation for N-[(3,5-dimethoxyphenyl)methyl]quinolin-6-amine?
The canonical SMILES for N-[(3,5-dimethoxyphenyl)methyl]quinolin-6-amine is COc1cc(CNc2ccc3ncccc3c2)cc(OC)c1.
What is the InChIKey of N-[(3,5-dimethoxyphenyl)methyl]quinolin-6-amine?
The InChIKey is DLQOSZDDSXSFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-21-16-8-13(9-17(11-16)22-2)12-20-15-5-6-18-14(10-15)4-3-7-19-18/h3-11,20H,12H2,1-2H3.
What are the key properties of N-[(3,5-dimethoxyphenyl)methyl]quinolin-6-amine?
N-[(3,5-dimethoxyphenyl)methyl]quinolin-6-amine has a molecular weight of 294.35 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethoxyphenyl)methyl]quinolin-6-amine is sourced from PubChem (CID 165347661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).