N-butyl-N-[(4-methoxyphenyl)methyl]butan-1-amine

C16H27NO — CID 6422491

IUPACN-butyl-N-[(4-methoxyphenyl)methyl]butan-1-amine
SMILESCCCCN(CCCC)Cc1ccc(OC)cc1
InChIInChI=1S/C16H27NO/c1-4-6-12-17(13-7-5-2)14-15-8-10-16(18-3)11-9-15/h8-11H,4-7,12-14H2,1-3H3
InChIKeyXQNFKLORFVEBNN-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.10
Rot. Bonds9

About N-butyl-N-[(4-methoxyphenyl)methyl]butan-1-amine

N-butyl-N-[(4-methoxyphenyl)methyl]butan-1-amine (PubChem CID 6422491) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-butyl-N-[(4-methoxyphenyl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-butyl-N-[(4-methoxyphenyl)methyl]butan-1-amine
PubChem CID6422491
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-butyl-N-[(4-methoxyphenyl)methyl]butan-1-amine
SMILESCCCCN(CCCC)Cc1ccc(OC)cc1
InChIInChI=1S/C16H27NO/c1-4-6-12-17(13-7-5-2)14-15-8-10-16(18-3)11-9-15/h8-11H,4-7,12-14H2,1-3H3
InChIKeyXQNFKLORFVEBNN-UHFFFAOYSA-N
XLogP4.10
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(2-aminoethyl)-N'-[(4-methoxyphenyl)methyl]ethane-1,2-diamine
CID 62922412
4-[[(4-methoxyphenyl)methyl-propylamino]methyl]aniline
CID 43459594
N-(cyclohexylmethyl)-N-[(4-methoxyphenyl)methyl]pentan-1-amine
CID 138518982
N-butyl-N-[(4-fluorophenyl)methyl]butan-1-amine
CID 6422133
N-butyl-N-[(4-iodophenyl)methyl]butan-1-amine
CID 65478140
N-[(4-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 122609914
4-[(dibutylamino)methyl]aniline;dihydrochloride
CID 90478012
N-ethyl-2-methoxy-N-[(4-methoxyphenyl)methyl]ethanamine
CID 51086801
N-benzyl-N-[(2,5-dimethoxyphenyl)methyl]butan-1-amine
CID 2244864
3-[(dibutylamino)methyl]-5-methoxyaniline
CID 81149053
2-[(4-methoxyphenyl)methyl-propylamino]acetic acid
CID 55026148
3-[3-hydroxypropyl-[(4-methoxyphenyl)methyl]amino]propanoic acid
CID 82330132

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[(4-methoxyphenyl)methyl]butan-1-amine?
The IUPAC name of N-butyl-N-[(4-methoxyphenyl)methyl]butan-1-amine (CID 6422491) is N-butyl-N-[(4-methoxyphenyl)methyl]butan-1-amine.
What is the SMILES notation for N-butyl-N-[(4-methoxyphenyl)methyl]butan-1-amine?
The canonical SMILES for N-butyl-N-[(4-methoxyphenyl)methyl]butan-1-amine is CCCCN(CCCC)Cc1ccc(OC)cc1.
What is the InChIKey of N-butyl-N-[(4-methoxyphenyl)methyl]butan-1-amine?
The InChIKey is XQNFKLORFVEBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-4-6-12-17(13-7-5-2)14-15-8-10-16(18-3)11-9-15/h8-11H,4-7,12-14H2,1-3H3.
What are the key properties of N-butyl-N-[(4-methoxyphenyl)methyl]butan-1-amine?
N-butyl-N-[(4-methoxyphenyl)methyl]butan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 4.10, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[(4-methoxyphenyl)methyl]butan-1-amine is sourced from PubChem (CID 6422491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).