2-(3-benzylhexan-3-yl)-N-methylaniline

C20H27N — CID 145488869

IUPAC2-(3-benzylhexan-3-yl)-N-methylaniline
SMILESCCCC(CC)(Cc1ccccc1)c1ccccc1NC
InChIInChI=1S/C20H27N/c1-4-15-20(5-2,16-17-11-7-6-8-12-17)18-13-9-10-14-19(18)21-3/h6-14,21H,4-5,15-16H2,1-3H3
InChIKeyFSGZZSRXWPWPKJ-UHFFFAOYSA-N
MW281.44 g/mol
LogP5.42
Rot. Bonds7

About 2-(3-benzylhexan-3-yl)-N-methylaniline

2-(3-benzylhexan-3-yl)-N-methylaniline (PubChem CID 145488869) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-(3-benzylhexan-3-yl)-N-methylaniline.

Molecular Properties

Compound Name2-(3-benzylhexan-3-yl)-N-methylaniline
PubChem CID145488869
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name2-(3-benzylhexan-3-yl)-N-methylaniline
SMILESCCCC(CC)(Cc1ccccc1)c1ccccc1NC
InChIInChI=1S/C20H27N/c1-4-15-20(5-2,16-17-11-7-6-8-12-17)18-13-9-10-14-19(18)21-3/h6-14,21H,4-5,15-16H2,1-3H3
InChIKeyFSGZZSRXWPWPKJ-UHFFFAOYSA-N
XLogP5.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.44
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-benzylheptan-4-yl)pyridine
CID 122207930
1-phenylpentane-2,2-diol
CID 56635388
2,2-dimethylpentylbenzene
CID 15727699
3-benzylhexan-3-amine
CID 79007389
azane;3-benzylpentan-3-ol
CID 173295411
2-amino-2-benzylpentanoic acid
CID 24974249
2,2-bis(chloromethyl)pentylbenzene
CID 79447192
(2-ethyl-2-methylbutyl)benzene
CID 123641908
2,2-difluorobutylbenzene
CID 12695736
2-[(3-fluorophenyl)methyl]-N-methyl-2-phenylbutan-1-amine
CID 62723869
azane;2,2-dimethylbutylbenzene
CID 175285583
2,2-diethylundecylbenzene
CID 151975771

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzylhexan-3-yl)-N-methylaniline?
The IUPAC name of 2-(3-benzylhexan-3-yl)-N-methylaniline (CID 145488869) is 2-(3-benzylhexan-3-yl)-N-methylaniline.
What is the SMILES notation for 2-(3-benzylhexan-3-yl)-N-methylaniline?
The canonical SMILES for 2-(3-benzylhexan-3-yl)-N-methylaniline is CCCC(CC)(Cc1ccccc1)c1ccccc1NC.
What is the InChIKey of 2-(3-benzylhexan-3-yl)-N-methylaniline?
The InChIKey is FSGZZSRXWPWPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-4-15-20(5-2,16-17-11-7-6-8-12-17)18-13-9-10-14-19(18)21-3/h6-14,21H,4-5,15-16H2,1-3H3.
What are the key properties of 2-(3-benzylhexan-3-yl)-N-methylaniline?
2-(3-benzylhexan-3-yl)-N-methylaniline has a molecular weight of 281.44 g/mol, XLogP of 5.42, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzylhexan-3-yl)-N-methylaniline is sourced from PubChem (CID 145488869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).