N,N-dibenzyl-3-(3-methoxyphenyl)-2-methylpentan-1-amine

C27H33NO — CID 67306009

IUPACN,N-dibenzyl-3-(3-methoxyphenyl)-2-methylpentan-1-amine
SMILESCCC(c1cccc(OC)c1)C(C)CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C27H33NO/c1-4-27(25-16-11-17-26(18-25)29-3)22(2)19-28(20-23-12-7-5-8-13-23)21-24-14-9-6-10-15-24/h5-18,22,27H,4,19-21H2,1-3H3
InChIKeyICIJYBGZOCFEDZ-UHFFFAOYSA-N
MW387.57 g/mol
LogP6.53
Rot. Bonds10

About N,N-dibenzyl-3-(3-methoxyphenyl)-2-methylpentan-1-amine

N,N-dibenzyl-3-(3-methoxyphenyl)-2-methylpentan-1-amine (PubChem CID 67306009) has the molecular formula C27H33NO and a molecular weight of 387.57 g/mol. Its IUPAC name is N,N-dibenzyl-3-(3-methoxyphenyl)-2-methylpentan-1-amine.

Molecular Properties

Compound NameN,N-dibenzyl-3-(3-methoxyphenyl)-2-methylpentan-1-amine
PubChem CID67306009
Molecular FormulaC27H33NO
Molecular Weight387.57 g/mol
Exact Mass387.26
IUPAC NameN,N-dibenzyl-3-(3-methoxyphenyl)-2-methylpentan-1-amine
SMILESCCC(c1cccc(OC)c1)C(C)CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C27H33NO/c1-4-27(25-16-11-17-26(18-25)29-3)22(2)19-28(20-23-12-7-5-8-13-23)21-24-14-9-6-10-15-24/h5-18,22,27H,4,19-21H2,1-3H3
InChIKeyICIJYBGZOCFEDZ-UHFFFAOYSA-N
XLogP6.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.57
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(3-methoxyphenyl)-N,N,2-trimethylpentan-1-amine
CID 78358059
(2S,3S)-3-(3-methoxyphenyl)-N,N,2-trimethylpentan-1-amine;hydrochloride
CID 69414661
N-benzyl-N-[(3-methoxyphenyl)methyl]ethanamine
CID 70971804
[(2R,3R)-3-(3-methoxyphenyl)-2-methylpentyl]-dimethylazanium
CID 86313247
cumene;ethane;1-ethyl-3-methoxybenzene
CID 171630693
(2S)-1-[benzyl-[(3-methoxyphenyl)methyl]amino]pentan-2-ol
CID 93162073
N-benzyl-2-bromo-N-[(3-methoxyphenyl)methyl]ethanamine
CID 80679001
N'-benzyl-N'-[1-(3-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 106511322
2-[2-methoxyethyl-[(3-methoxyphenyl)methyl]amino]-1-phenylethanol
CID 24713596
1-(dibenzylamino)propan-2-yl 3-methoxybenzoate
CID 3968111
(2S,3R)-3-(3-methoxyphenyl)-N,N,2-trimethylpentanamide
CID 58555143
N,N-diethyl-3-(3-methoxyphenyl)-2-methylpentanamide
CID 71250291

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-3-(3-methoxyphenyl)-2-methylpentan-1-amine?
The IUPAC name of N,N-dibenzyl-3-(3-methoxyphenyl)-2-methylpentan-1-amine (CID 67306009) is N,N-dibenzyl-3-(3-methoxyphenyl)-2-methylpentan-1-amine.
What is the SMILES notation for N,N-dibenzyl-3-(3-methoxyphenyl)-2-methylpentan-1-amine?
The canonical SMILES for N,N-dibenzyl-3-(3-methoxyphenyl)-2-methylpentan-1-amine is CCC(c1cccc(OC)c1)C(C)CN(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-3-(3-methoxyphenyl)-2-methylpentan-1-amine?
The InChIKey is ICIJYBGZOCFEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33NO/c1-4-27(25-16-11-17-26(18-25)29-3)22(2)19-28(20-23-12-7-5-8-13-23)21-24-14-9-6-10-15-24/h5-18,22,27H,4,19-21H2,1-3H3.
What are the key properties of N,N-dibenzyl-3-(3-methoxyphenyl)-2-methylpentan-1-amine?
N,N-dibenzyl-3-(3-methoxyphenyl)-2-methylpentan-1-amine has a molecular weight of 387.57 g/mol, XLogP of 6.53, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-3-(3-methoxyphenyl)-2-methylpentan-1-amine is sourced from PubChem (CID 67306009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).