N-[(2-ethylphenyl)methyl]-5-methylhexan-1-amine

C16H27N — CID 113287301

IUPACN-[(2-ethylphenyl)methyl]-5-methylhexan-1-amine
SMILESCCc1ccccc1CNCCCCC(C)C
InChIInChI=1S/C16H27N/c1-4-15-10-5-6-11-16(15)13-17-12-8-7-9-14(2)3/h5-6,10-11,14,17H,4,7-9,12-13H2,1-3H3
InChIKeyPMRMXUHUQXBMES-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.16
Rot. Bonds8

About N-[(2-ethylphenyl)methyl]-5-methylhexan-1-amine

N-[(2-ethylphenyl)methyl]-5-methylhexan-1-amine (PubChem CID 113287301) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is N-[(2-ethylphenyl)methyl]-5-methylhexan-1-amine.

Molecular Properties

Compound NameN-[(2-ethylphenyl)methyl]-5-methylhexan-1-amine
PubChem CID113287301
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC NameN-[(2-ethylphenyl)methyl]-5-methylhexan-1-amine
SMILESCCc1ccccc1CNCCCCC(C)C
InChIInChI=1S/C16H27N/c1-4-15-10-5-6-11-16(15)13-17-12-8-7-9-14(2)3/h5-6,10-11,14,17H,4,7-9,12-13H2,1-3H3
InChIKeyPMRMXUHUQXBMES-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'}

Analyze N-[(2-ethylphenyl)methyl]-5-methylhexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-ethylphenyl)methyl]-7-methyloctan-1-amine
CID 63421085
5-[(2-ethylphenyl)methylamino]pentan-2-ol
CID 106122637
7-methyl-N-[(2-methylphenyl)methyl]octan-1-amine
CID 28527730
7-methyl-N-(naphthalen-1-ylmethyl)octan-1-amine
CID 28528182
2-[(4-methylpentylamino)methyl]phenol
CID 61044240
4-[(2-ethylphenyl)methylamino]butan-1-ol
CID 64680949
N-[(2-ethoxyphenyl)methyl]-7-methyloctan-1-amine
CID 29300527
N-[(2-ethylphenyl)methyl]-3-methylhexan-1-amine
CID 142349855
N-[(2-ethylphenyl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106040849
N-[[2-[(heptylamino)methyl]phenyl]methyl]heptan-1-amine
CID 14801566
N-(1-benzofuran-3-ylmethyl)-5-methylhexan-1-amine
CID 113287372
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]-5-methylhexan-1-amine?
The IUPAC name of N-[(2-ethylphenyl)methyl]-5-methylhexan-1-amine (CID 113287301) is N-[(2-ethylphenyl)methyl]-5-methylhexan-1-amine.
What is the SMILES notation for N-[(2-ethylphenyl)methyl]-5-methylhexan-1-amine?
The canonical SMILES for N-[(2-ethylphenyl)methyl]-5-methylhexan-1-amine is CCc1ccccc1CNCCCCC(C)C.
What is the InChIKey of N-[(2-ethylphenyl)methyl]-5-methylhexan-1-amine?
The InChIKey is PMRMXUHUQXBMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-4-15-10-5-6-11-16(15)13-17-12-8-7-9-14(2)3/h5-6,10-11,14,17H,4,7-9,12-13H2,1-3H3.
What are the key properties of N-[(2-ethylphenyl)methyl]-5-methylhexan-1-amine?
N-[(2-ethylphenyl)methyl]-5-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]-5-methylhexan-1-amine is sourced from PubChem (CID 113287301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).