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

C15H25NO — CID 83155306

IUPACN-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methylpentan-1-amine
SMILESCOc1ccc([C@H](C)NCCCC(C)C)cc1
InChIInChI=1S/C15H25NO/c1-12(2)6-5-11-16-13(3)14-7-9-15(17-4)10-8-14/h7-10,12-13,16H,5-6,11H2,1-4H3/t13-/m0/s1
InChIKeyVCGHCAXNBAKGCA-ZDUSSCGKSA-N
MW235.37 g/mol
LogP3.78
Rot. Bonds7

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

N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methylpentan-1-amine (PubChem CID 83155306) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methylpentan-1-amine.

Molecular Properties

Compound NameN-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methylpentan-1-amine
PubChem CID83155306
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methylpentan-1-amine
SMILESCOc1ccc([C@H](C)NCCCC(C)C)cc1
InChIInChI=1S/C15H25NO/c1-12(2)6-5-11-16-13(3)14-7-9-15(17-4)10-8-14/h7-10,12-13,16H,5-6,11H2,1-4H3/t13-/m0/s1
InChIKeyVCGHCAXNBAKGCA-ZDUSSCGKSA-N
XLogP3.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.78
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-(4-ethoxyphenyl)ethyl]-4-methylpentan-1-amine
CID 54914008
3-fluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 81370417
3-[1-(4-methoxyphenyl)ethylamino]propan-1-ol
CID 43206530
(1R)-1-(4-methoxyphenyl)-N-[2-(3-methylbutoxy)ethyl]ethanamine
CID 81370490
4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]butan-1-ol
CID 81371223
4-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]pentan-1-amine
CID 63452559
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4,4-dimethylpentan-1-amine
CID 114209430
N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-methylsulfanylpropan-1-amine
CID 81370452
3-butoxy-N-[1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 115704468
3-ethylsulfanyl-N-[1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 115900079
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylpropan-1-amine
CID 29042009
4-methyl-N-(1-naphthalen-2-ylethyl)pentan-1-amine
CID 63452555

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methylpentan-1-amine?
The IUPAC name of N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methylpentan-1-amine (CID 83155306) is N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methylpentan-1-amine.
What is the SMILES notation for N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methylpentan-1-amine?
The canonical SMILES for N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methylpentan-1-amine is COc1ccc([C@H](C)NCCCC(C)C)cc1.
What is the InChIKey of N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methylpentan-1-amine?
The InChIKey is VCGHCAXNBAKGCA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H25NO/c1-12(2)6-5-11-16-13(3)14-7-9-15(17-4)10-8-14/h7-10,12-13,16H,5-6,11H2,1-4H3/t13-/m0/s1.
What are the key properties of N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methylpentan-1-amine?
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methylpentan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methylpentan-1-amine is sourced from PubChem (CID 83155306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).