N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-phenylbutan-1-amine

C19H25NO — CID 104893847

IUPACN-[(1S)-1-(3-methoxyphenyl)ethyl]-4-phenylbutan-1-amine
SMILESCOc1cccc([C@H](C)NCCCCc2ccccc2)c1
InChIInChI=1S/C19H25NO/c1-16(18-12-8-13-19(15-18)21-2)20-14-7-6-11-17-9-4-3-5-10-17/h3-5,8-10,12-13,15-16,20H,6-7,11,14H2,1-2H3/t16-/m0/s1
InChIKeyGEPFUDFKGGKCLK-INIZCTEOSA-N
MW283.42 g/mol
LogP4.37
Rot. Bonds8

About N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-phenylbutan-1-amine

N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-phenylbutan-1-amine (PubChem CID 104893847) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-phenylbutan-1-amine.

Molecular Properties

Compound NameN-[(1S)-1-(3-methoxyphenyl)ethyl]-4-phenylbutan-1-amine
PubChem CID104893847
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC NameN-[(1S)-1-(3-methoxyphenyl)ethyl]-4-phenylbutan-1-amine
SMILESCOc1cccc([C@H](C)NCCCCc2ccccc2)c1
InChIInChI=1S/C19H25NO/c1-16(18-12-8-13-19(15-18)21-2)20-14-7-6-11-17-9-4-3-5-10-17/h3-5,8-10,12-13,15-16,20H,6-7,11,14H2,1-2H3/t16-/m0/s1
InChIKeyGEPFUDFKGGKCLK-INIZCTEOSA-N
XLogP4.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.37
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

N-[1-(3-methoxyphenyl)ethyl]-3-phenylpropan-1-amine
CID 18357750
N-[(1S)-1-(3-methoxyphenyl)ethyl]hexan-1-amine
CID 30052666
N-[(1S)-1-(3-methylphenyl)ethyl]-4-phenylbutan-1-amine
CID 104893840
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylpropan-1-amine
CID 29042009
N-methyl-N'-[1-[3-(3-phenylpropoxy)phenyl]ethyl]propane-1,3-diamine
CID 21422403
4-(3-methoxyphenoxy)-N-[(1S)-1-phenylethyl]butan-1-amine
CID 2184702
N-[1-(3,5-diethoxyphenyl)ethyl]-4-phenylbutan-1-amine
CID 155595556
N-[2-(4-fluorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 43191768
4-[1-(3-methoxyphenyl)ethylamino]butanoic acid
CID 54920471
4-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]butanenitrile
CID 81373125
N-(2-phenylethyl)-1-(3-propan-2-yloxyphenyl)ethanamine
CID 43694648
3-[1-(3-methoxyphenyl)ethylamino]propane-1-sulfinic acid
CID 143275367

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-phenylbutan-1-amine?
The IUPAC name of N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-phenylbutan-1-amine (CID 104893847) is N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-phenylbutan-1-amine.
What is the SMILES notation for N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-phenylbutan-1-amine?
The canonical SMILES for N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-phenylbutan-1-amine is COc1cccc([C@H](C)NCCCCc2ccccc2)c1.
What is the InChIKey of N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-phenylbutan-1-amine?
The InChIKey is GEPFUDFKGGKCLK-INIZCTEOSA-N. The full InChI is InChI=1S/C19H25NO/c1-16(18-12-8-13-19(15-18)21-2)20-14-7-6-11-17-9-4-3-5-10-17/h3-5,8-10,12-13,15-16,20H,6-7,11,14H2,1-2H3/t16-/m0/s1.
What are the key properties of N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-phenylbutan-1-amine?
N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-phenylbutan-1-amine has a molecular weight of 283.42 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-phenylbutan-1-amine is sourced from PubChem (CID 104893847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).