5-methoxy-1-phenylpentan-2-amine

C12H19NO — CID 62608693

IUPAC5-methoxy-1-phenylpentan-2-amine
SMILESCOCCCC(N)Cc1ccccc1
InChIInChI=1S/C12H19NO/c1-14-9-5-8-12(13)10-11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10,13H2,1H3
InChIKeyYPBVXODZCVRZQH-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.98
Rot. Bonds6

About 5-methoxy-1-phenylpentan-2-amine

5-methoxy-1-phenylpentan-2-amine (PubChem CID 62608693) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 5-methoxy-1-phenylpentan-2-amine.

Molecular Properties

Compound Name5-methoxy-1-phenylpentan-2-amine
PubChem CID62608693
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name5-methoxy-1-phenylpentan-2-amine
SMILESCOCCCC(N)Cc1ccccc1
InChIInChI=1S/C12H19NO/c1-14-9-5-8-12(13)10-11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10,13H2,1H3
InChIKeyYPBVXODZCVRZQH-UHFFFAOYSA-N
XLogP1.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.98
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

5-phenoxy-1-phenylpentan-2-amine
CID 62935761
(2R,5R)-1,6-diphenylhexane-2,5-diamine;methane
CID 160625551
1-(4-methylphenyl)-5-phenoxypentan-2-amine
CID 62936792
2-benzyl-6-methoxyhexan-1-amine
CID 104649139
5-(2-methoxyethoxy)-1-(3-methoxyphenyl)pentan-2-amine
CID 103414989
3-methoxypropyl (2S)-2-amino-3-phenylpropanoate
CID 61278803
1-(2,3-dihydro-1H-inden-5-yl)-5-methoxypentan-2-amine
CID 65092625
methyl 10-amino-11-phenylundecanoate;hydrochloride
CID 141254127
[4-methoxy-2-(2-methoxyethyl)butyl]benzene
CID 175035100
5-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine
CID 79819900
1,4-diphenylbutan-2-amine
CID 60820174
1-(4-chloro-3-fluorophenyl)-5-methoxypentan-2-amine
CID 107884756

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-phenylpentan-2-amine?
The IUPAC name of 5-methoxy-1-phenylpentan-2-amine (CID 62608693) is 5-methoxy-1-phenylpentan-2-amine.
What is the SMILES notation for 5-methoxy-1-phenylpentan-2-amine?
The canonical SMILES for 5-methoxy-1-phenylpentan-2-amine is COCCCC(N)Cc1ccccc1.
What is the InChIKey of 5-methoxy-1-phenylpentan-2-amine?
The InChIKey is YPBVXODZCVRZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-14-9-5-8-12(13)10-11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10,13H2,1H3.
What are the key properties of 5-methoxy-1-phenylpentan-2-amine?
5-methoxy-1-phenylpentan-2-amine has a molecular weight of 193.29 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-phenylpentan-2-amine is sourced from PubChem (CID 62608693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).