N-[(2-ethylphenyl)methyl]-3-methylhexan-1-amine

C16H27N — CID 142349855

IUPACN-[(2-ethylphenyl)methyl]-3-methylhexan-1-amine
SMILESCCCC(C)CCNCc1ccccc1CC
InChIInChI=1S/C16H27N/c1-4-8-14(3)11-12-17-13-16-10-7-6-9-15(16)5-2/h6-7,9-10,14,17H,4-5,8,11-13H2,1-3H3
InChIKeyZKICYLNUIYTPSW-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.16
Rot. Bonds8

About N-[(2-ethylphenyl)methyl]-3-methylhexan-1-amine

N-[(2-ethylphenyl)methyl]-3-methylhexan-1-amine (PubChem CID 142349855) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is N-[(2-ethylphenyl)methyl]-3-methylhexan-1-amine.

Molecular Properties

Compound NameN-[(2-ethylphenyl)methyl]-3-methylhexan-1-amine
PubChem CID142349855
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC NameN-[(2-ethylphenyl)methyl]-3-methylhexan-1-amine
SMILESCCCC(C)CCNCc1ccccc1CC
InChIInChI=1S/C16H27N/c1-4-8-14(3)11-12-17-13-16-10-7-6-9-15(16)5-2/h6-7,9-10,14,17H,4-5,8,11-13H2,1-3H3
InChIKeyZKICYLNUIYTPSW-UHFFFAOYSA-N
XLogP4.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2-ethylphenyl)methyl]-5-methylhexan-1-amine
CID 113287301
N-[(2-ethylphenyl)methyl]-7-methyloctan-1-amine
CID 63421085
5-[(2-ethylphenyl)methylamino]pentan-2-ol
CID 106122637
N-[(2-ethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 62392429
N-[(2-ethylphenyl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106040849
6-[(2-fluorophenyl)methylamino]-4-methylhexanoic acid
CID 65290029
4-[(2-ethylphenyl)methylamino]butan-1-ol
CID 64680949
N'-tert-butyl-N-[(2-ethylphenyl)methyl]ethane-1,2-diamine
CID 113405413
N-[2-[(2-ethylphenyl)methylamino]ethyl]methanesulfonamide
CID 62392443
2-ethyl-N-[(2-ethylphenyl)methyl]hexan-1-amine
CID 63420299
N-[[2-[(heptylamino)methyl]phenyl]methyl]heptan-1-amine
CID 14801566
N-[(2-ethylphenyl)methyl]-4,4,4-trifluorobutan-1-amine
CID 113326356

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylphenyl)methyl]-3-methylhexan-1-amine?
The IUPAC name of N-[(2-ethylphenyl)methyl]-3-methylhexan-1-amine (CID 142349855) is N-[(2-ethylphenyl)methyl]-3-methylhexan-1-amine.
What is the SMILES notation for N-[(2-ethylphenyl)methyl]-3-methylhexan-1-amine?
The canonical SMILES for N-[(2-ethylphenyl)methyl]-3-methylhexan-1-amine is CCCC(C)CCNCc1ccccc1CC.
What is the InChIKey of N-[(2-ethylphenyl)methyl]-3-methylhexan-1-amine?
The InChIKey is ZKICYLNUIYTPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-4-8-14(3)11-12-17-13-16-10-7-6-9-15(16)5-2/h6-7,9-10,14,17H,4-5,8,11-13H2,1-3H3.
What are the key properties of N-[(2-ethylphenyl)methyl]-3-methylhexan-1-amine?
N-[(2-ethylphenyl)methyl]-3-methylhexan-1-amine has a molecular weight of 233.40 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylphenyl)methyl]-3-methylhexan-1-amine is sourced from PubChem (CID 142349855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).