N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylpropan-1-amine

C18H23NO — CID 29042009

IUPACN-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylpropan-1-amine
SMILESCOc1ccc([C@@H](C)NCCCc2ccccc2)cc1
InChIInChI=1S/C18H23NO/c1-15(17-10-12-18(20-2)13-11-17)19-14-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-13,15,19H,6,9,14H2,1-2H3/t15-/m1/s1
InChIKeyGWACZNQHRYNSQM-OAHLLOKOSA-N
MW269.39 g/mol
LogP3.98
Rot. Bonds7

About N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylpropan-1-amine

N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylpropan-1-amine (PubChem CID 29042009) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylpropan-1-amine
PubChem CID29042009
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylpropan-1-amine
SMILESCOc1ccc([C@@H](C)NCCCc2ccccc2)cc1
InChIInChI=1S/C18H23NO/c1-15(17-10-12-18(20-2)13-11-17)19-14-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-13,15,19H,6,9,14H2,1-2H3/t15-/m1/s1
InChIKeyGWACZNQHRYNSQM-OAHLLOKOSA-N
XLogP3.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylpropan-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-[1-(3-methoxyphenyl)ethyl]-3-phenylpropan-1-amine
CID 18357750
N-[1-(4-octoxyphenyl)ethyl]-3-phenylpropan-1-amine
CID 54804616
N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-phenylbutan-1-amine
CID 104893847
3-(4-methoxyphenoxy)-N-[(1R)-1-phenylethyl]propan-1-amine
CID 2183586
N-[1-[4-(2-ethoxyethoxy)phenyl]ethyl]-3-phenylpropan-1-amine
CID 54804632
3-phenyl-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 28646793
N-[1-(4-methylphenyl)ethyl]-4-phenylbutan-1-amine
CID 114333277
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methylpentan-1-amine
CID 83155306
3-fluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 81370417
3-[1-(4-methoxyphenyl)ethylamino]propan-1-ol
CID 43206530
4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]butan-1-ol
CID 81371223
N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine
CID 81367480

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylpropan-1-amine?
The IUPAC name of N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylpropan-1-amine (CID 29042009) is N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylpropan-1-amine.
What is the SMILES notation for N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylpropan-1-amine?
The canonical SMILES for N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylpropan-1-amine is COc1ccc([C@@H](C)NCCCc2ccccc2)cc1.
What is the InChIKey of N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylpropan-1-amine?
The InChIKey is GWACZNQHRYNSQM-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H23NO/c1-15(17-10-12-18(20-2)13-11-17)19-14-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-13,15,19H,6,9,14H2,1-2H3/t15-/m1/s1.
What are the key properties of N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylpropan-1-amine?
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylpropan-1-amine has a molecular weight of 269.39 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylpropan-1-amine is sourced from PubChem (CID 29042009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).