(1S)-N-(2-butoxyethyl)-1-(3-methylphenyl)ethanamine

C15H25NO — CID 81361060

IUPAC(1S)-N-(2-butoxyethyl)-1-(3-methylphenyl)ethanamine
SMILESCCCCOCCN[C@@H](C)c1cccc(C)c1
InChIInChI=1S/C15H25NO/c1-4-5-10-17-11-9-16-14(3)15-8-6-7-13(2)12-15/h6-8,12,14,16H,4-5,9-11H2,1-3H3/t14-/m0/s1
InChIKeyOIBRQNCQIIUOQD-AWEZNQCLSA-N
MW235.37 g/mol
LogP3.46
Rot. Bonds8

About (1S)-N-(2-butoxyethyl)-1-(3-methylphenyl)ethanamine

(1S)-N-(2-butoxyethyl)-1-(3-methylphenyl)ethanamine (PubChem CID 81361060) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is (1S)-N-(2-butoxyethyl)-1-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-(2-butoxyethyl)-1-(3-methylphenyl)ethanamine
PubChem CID81361060
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name(1S)-N-(2-butoxyethyl)-1-(3-methylphenyl)ethanamine
SMILESCCCCOCCN[C@@H](C)c1cccc(C)c1
InChIInChI=1S/C15H25NO/c1-4-5-10-17-11-9-16-14(3)15-8-6-7-13(2)12-15/h6-8,12,14,16H,4-5,9-11H2,1-3H3/t14-/m0/s1
InChIKeyOIBRQNCQIIUOQD-AWEZNQCLSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S)-N-(2-butoxyethyl)-1-(3-methylphenyl)ethanamine 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

(1R)-1-(3-methylphenyl)-N-(2-propoxyethyl)ethanamine
CID 106452285
3-ethoxy-N-[(1S)-1-(3-methylphenyl)ethyl]propan-1-amine
CID 81360459
(1S)-N-[2-(3-methylbutoxy)ethyl]-1-(3-methylphenyl)ethanamine
CID 81360285
N-[1-(3-methylphenyl)ethyl]hexan-1-amine
CID 43769677
3-(2-methoxyethoxy)-N-[1-(3-methylphenyl)ethyl]propan-1-amine
CID 43770898
N-[(1R)-1-(3-methylphenyl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 81361125
3-methoxy-N-[(1S)-1-(3-methylphenyl)ethyl]propan-1-amine
CID 81360450
N-(2-butoxyethyl)-1-pyridin-3-ylethanamine
CID 61171825
N-[1-[3-(2-butoxyethylsulfanyl)phenyl]ethyl]propan-1-amine
CID 64663818
2-[1-(2-butoxyethylamino)ethyl]-4-methylphenol
CID 61169320
3-butoxy-N-[1-[3-(difluoromethoxy)phenyl]ethyl]propan-1-amine
CID 115704413
N-[(1R)-1-(3-methylphenyl)ethyl]-3-phenoxypropan-1-amine
CID 81361126

Frequently Asked Questions

What is the IUPAC name of (1S)-N-(2-butoxyethyl)-1-(3-methylphenyl)ethanamine?
The IUPAC name of (1S)-N-(2-butoxyethyl)-1-(3-methylphenyl)ethanamine (CID 81361060) is (1S)-N-(2-butoxyethyl)-1-(3-methylphenyl)ethanamine.
What is the SMILES notation for (1S)-N-(2-butoxyethyl)-1-(3-methylphenyl)ethanamine?
The canonical SMILES for (1S)-N-(2-butoxyethyl)-1-(3-methylphenyl)ethanamine is CCCCOCCN[C@@H](C)c1cccc(C)c1.
What is the InChIKey of (1S)-N-(2-butoxyethyl)-1-(3-methylphenyl)ethanamine?
The InChIKey is OIBRQNCQIIUOQD-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-5-10-17-11-9-16-14(3)15-8-6-7-13(2)12-15/h6-8,12,14,16H,4-5,9-11H2,1-3H3/t14-/m0/s1.
What are the key properties of (1S)-N-(2-butoxyethyl)-1-(3-methylphenyl)ethanamine?
(1S)-N-(2-butoxyethyl)-1-(3-methylphenyl)ethanamine has a molecular weight of 235.37 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(2-butoxyethyl)-1-(3-methylphenyl)ethanamine is sourced from PubChem (CID 81361060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).