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

C15H25NO — CID 30052666

IUPACN-[(1S)-1-(3-methoxyphenyl)ethyl]hexan-1-amine
SMILESCCCCCCN[C@@H](C)c1cccc(OC)c1
InChIInChI=1S/C15H25NO/c1-4-5-6-7-11-16-13(2)14-9-8-10-15(12-14)17-3/h8-10,12-13,16H,4-7,11H2,1-3H3/t13-/m0/s1
InChIKeyAPKATHLGCVDZNO-ZDUSSCGKSA-N
MW235.37 g/mol
LogP3.93
Rot. Bonds8

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

N-[(1S)-1-(3-methoxyphenyl)ethyl]hexan-1-amine (PubChem CID 30052666) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[(1S)-1-(3-methoxyphenyl)ethyl]hexan-1-amine.

Molecular Properties

Compound NameN-[(1S)-1-(3-methoxyphenyl)ethyl]hexan-1-amine
PubChem CID30052666
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-[(1S)-1-(3-methoxyphenyl)ethyl]hexan-1-amine
SMILESCCCCCCN[C@@H](C)c1cccc(OC)c1
InChIInChI=1S/C15H25NO/c1-4-5-6-7-11-16-13(2)14-9-8-10-15(12-14)17-3/h8-10,12-13,16H,4-7,11H2,1-3H3/t13-/m0/s1
InChIKeyAPKATHLGCVDZNO-ZDUSSCGKSA-N
XLogP3.93
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 ≤ 53.93
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-propan-2-yloxyphenyl)ethyl]pentan-1-amine
CID 43694615
3-ethoxy-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine
CID 43196156
N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-phenylbutan-1-amine
CID 104893847
4-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]butanenitrile
CID 81373125
N-[(1S)-1-(3-ethoxyphenyl)ethyl]butan-1-amine
CID 99695653
N-[1-(3-methoxyphenyl)ethyl]-3-methylbutan-1-amine
CID 43193047
N-[1-(3-methylphenyl)ethyl]hexan-1-amine
CID 43769677
N-[1-(3-methoxyphenyl)ethyl]-3-phenylpropan-1-amine
CID 18357750
4-[1-(3-methoxyphenyl)ethylamino]butanoic acid
CID 54920471
N-[1-(3-fluorophenyl)ethyl]octan-1-amine
CID 43085696
3-[1-(3-methoxyphenyl)ethylamino]propane-1-sulfinic acid
CID 143275367
N-[(1R)-1-phenylethyl]heptan-1-amine
CID 14866487

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-methoxyphenyl)ethyl]hexan-1-amine?
The IUPAC name of N-[(1S)-1-(3-methoxyphenyl)ethyl]hexan-1-amine (CID 30052666) is N-[(1S)-1-(3-methoxyphenyl)ethyl]hexan-1-amine.
What is the SMILES notation for N-[(1S)-1-(3-methoxyphenyl)ethyl]hexan-1-amine?
The canonical SMILES for N-[(1S)-1-(3-methoxyphenyl)ethyl]hexan-1-amine is CCCCCCN[C@@H](C)c1cccc(OC)c1.
What is the InChIKey of N-[(1S)-1-(3-methoxyphenyl)ethyl]hexan-1-amine?
The InChIKey is APKATHLGCVDZNO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-5-6-7-11-16-13(2)14-9-8-10-15(12-14)17-3/h8-10,12-13,16H,4-7,11H2,1-3H3/t13-/m0/s1.
What are the key properties of N-[(1S)-1-(3-methoxyphenyl)ethyl]hexan-1-amine?
N-[(1S)-1-(3-methoxyphenyl)ethyl]hexan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.93, 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]hexan-1-amine is sourced from PubChem (CID 30052666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).