3-ethoxy-N-[(1S)-1-(3-methylphenyl)ethyl]propan-1-amine

C14H23NO — CID 81360459

IUPAC3-ethoxy-N-[(1S)-1-(3-methylphenyl)ethyl]propan-1-amine
SMILESCCOCCCN[C@@H](C)c1cccc(C)c1
InChIInChI=1S/C14H23NO/c1-4-16-10-6-9-15-13(3)14-8-5-7-12(2)11-14/h5,7-8,11,13,15H,4,6,9-10H2,1-3H3/t13-/m0/s1
InChIKeyKBZJIYNCGHTXOT-ZDUSSCGKSA-N
MW221.34 g/mol
LogP3.07
Rot. Bonds7

About 3-ethoxy-N-[(1S)-1-(3-methylphenyl)ethyl]propan-1-amine

3-ethoxy-N-[(1S)-1-(3-methylphenyl)ethyl]propan-1-amine (PubChem CID 81360459) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 3-ethoxy-N-[(1S)-1-(3-methylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[(1S)-1-(3-methylphenyl)ethyl]propan-1-amine
PubChem CID81360459
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name3-ethoxy-N-[(1S)-1-(3-methylphenyl)ethyl]propan-1-amine
SMILESCCOCCCN[C@@H](C)c1cccc(C)c1
InChIInChI=1S/C14H23NO/c1-4-16-10-6-9-15-13(3)14-8-5-7-12(2)11-14/h5,7-8,11,13,15H,4,6,9-10H2,1-3H3/t13-/m0/s1
InChIKeyKBZJIYNCGHTXOT-ZDUSSCGKSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methoxyethoxy)-N-[1-(3-methylphenyl)ethyl]propan-1-amine
CID 43770898
3-methoxy-N-[(1S)-1-(3-methylphenyl)ethyl]propan-1-amine
CID 81360450
(1S)-N-(2-butoxyethyl)-1-(3-methylphenyl)ethanamine
CID 81361060
N-[(1R)-1-(3-methylphenyl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 81361125
3-ethoxy-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine
CID 43196156
N-[(1R)-1-(3-methylphenyl)ethyl]-3-phenoxypropan-1-amine
CID 81361126
(1R)-1-(3-methylphenyl)-N-(2-propoxyethyl)ethanamine
CID 106452285
N-[1-(3-methylphenyl)ethyl]hexan-1-amine
CID 43769677
N-[3-[1-(3-ethoxypropylamino)ethyl]phenyl]acetamide
CID 43201568
(1S)-N-[2-(3-methylbutoxy)ethyl]-1-(3-methylphenyl)ethanamine
CID 81360285
N-[1-[3-(3-ethoxypropoxy)phenyl]ethyl]propan-1-amine
CID 65176727
5-[1-(3-methylphenyl)ethylamino]pentan-1-ol
CID 107303118

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[(1S)-1-(3-methylphenyl)ethyl]propan-1-amine?
The IUPAC name of 3-ethoxy-N-[(1S)-1-(3-methylphenyl)ethyl]propan-1-amine (CID 81360459) is 3-ethoxy-N-[(1S)-1-(3-methylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[(1S)-1-(3-methylphenyl)ethyl]propan-1-amine?
The canonical SMILES for 3-ethoxy-N-[(1S)-1-(3-methylphenyl)ethyl]propan-1-amine is CCOCCCN[C@@H](C)c1cccc(C)c1.
What is the InChIKey of 3-ethoxy-N-[(1S)-1-(3-methylphenyl)ethyl]propan-1-amine?
The InChIKey is KBZJIYNCGHTXOT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-16-10-6-9-15-13(3)14-8-5-7-12(2)11-14/h5,7-8,11,13,15H,4,6,9-10H2,1-3H3/t13-/m0/s1.
What are the key properties of 3-ethoxy-N-[(1S)-1-(3-methylphenyl)ethyl]propan-1-amine?
3-ethoxy-N-[(1S)-1-(3-methylphenyl)ethyl]propan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[(1S)-1-(3-methylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 81360459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).