N-[1-(2-methylphenyl)ethyl]octan-2-amine

C17H29N — CID 43129972

IUPACN-[1-(2-methylphenyl)ethyl]octan-2-amine
SMILESCCCCCCC(C)NC(C)c1ccccc1C
InChIInChI=1S/C17H29N/c1-5-6-7-8-12-15(3)18-16(4)17-13-10-9-11-14(17)2/h9-11,13,15-16,18H,5-8,12H2,1-4H3
InChIKeyBGZGEQROMMVEAG-UHFFFAOYSA-N
MW247.43 g/mol
LogP5.00
Rot. Bonds8

About N-[1-(2-methylphenyl)ethyl]octan-2-amine

N-[1-(2-methylphenyl)ethyl]octan-2-amine (PubChem CID 43129972) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is N-[1-(2-methylphenyl)ethyl]octan-2-amine.

Molecular Properties

Compound NameN-[1-(2-methylphenyl)ethyl]octan-2-amine
PubChem CID43129972
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC NameN-[1-(2-methylphenyl)ethyl]octan-2-amine
SMILESCCCCCCC(C)NC(C)c1ccccc1C
InChIInChI=1S/C17H29N/c1-5-6-7-8-12-15(3)18-16(4)17-13-10-9-11-14(17)2/h9-11,13,15-16,18H,5-8,12H2,1-4H3
InChIKeyBGZGEQROMMVEAG-UHFFFAOYSA-N
XLogP5.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500247.43
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[1-(2-methylphenyl)ethyl]octan-2-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-[1-(2-methylphenyl)ethyl]nonan-2-amine
CID 43129973
N-[1-(2-methylphenyl)ethyl]heptan-2-amine
CID 43109011
N-[1-(2-methoxyphenyl)ethyl]octan-2-amine
CID 43129932
N-(1-naphthalen-1-ylethyl)octan-2-amine
CID 43130017
N-[(1S)-1-(2-bromophenyl)ethyl]heptan-2-amine
CID 81383315
5-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]hexan-2-amine
CID 81373170
1-methyl-2-tetradecan-2-ylbenzene
CID 54096578
1-methyl-2-octan-2-ylbenzene
CID 86190056
N-[(1R)-1-(2-methylphenyl)ethyl]heptan-1-amine
CID 81373594
N-[1-(2-methylphenyl)ethyl]hexan-3-amine
CID 62117976
4-methoxy-N-[(1S)-1-(2-methylphenyl)ethyl]butan-2-amine
CID 81375675
N-[1-(2-methylphenyl)ethyl]-4-phenylbutan-2-amine
CID 43096454

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylphenyl)ethyl]octan-2-amine?
The IUPAC name of N-[1-(2-methylphenyl)ethyl]octan-2-amine (CID 43129972) is N-[1-(2-methylphenyl)ethyl]octan-2-amine.
What is the SMILES notation for N-[1-(2-methylphenyl)ethyl]octan-2-amine?
The canonical SMILES for N-[1-(2-methylphenyl)ethyl]octan-2-amine is CCCCCCC(C)NC(C)c1ccccc1C.
What is the InChIKey of N-[1-(2-methylphenyl)ethyl]octan-2-amine?
The InChIKey is BGZGEQROMMVEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-5-6-7-8-12-15(3)18-16(4)17-13-10-9-11-14(17)2/h9-11,13,15-16,18H,5-8,12H2,1-4H3.
What are the key properties of N-[1-(2-methylphenyl)ethyl]octan-2-amine?
N-[1-(2-methylphenyl)ethyl]octan-2-amine has a molecular weight of 247.43 g/mol, XLogP of 5.00, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylphenyl)ethyl]octan-2-amine is sourced from PubChem (CID 43129972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).