(2S)-1-(3-methoxyphenyl)pentan-2-amine

C12H19NO — CID 89063549

IUPAC(2S)-1-(3-methoxyphenyl)pentan-2-amine
SMILESCCC[C@H](N)Cc1cccc(OC)c1
InChIInChI=1S/C12H19NO/c1-3-5-11(13)8-10-6-4-7-12(9-10)14-2/h4,6-7,9,11H,3,5,8,13H2,1-2H3/t11-/m0/s1
InChIKeyVCIQOQRZVUSZCQ-NSHDSACASA-N
MW193.29 g/mol
LogP2.37
Rot. Bonds5

About (2S)-1-(3-methoxyphenyl)pentan-2-amine

(2S)-1-(3-methoxyphenyl)pentan-2-amine (PubChem CID 89063549) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (2S)-1-(3-methoxyphenyl)pentan-2-amine.

Molecular Properties

Compound Name(2S)-1-(3-methoxyphenyl)pentan-2-amine
PubChem CID89063549
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(2S)-1-(3-methoxyphenyl)pentan-2-amine
SMILESCCC[C@H](N)Cc1cccc(OC)c1
InChIInChI=1S/C12H19NO/c1-3-5-11(13)8-10-6-4-7-12(9-10)14-2/h4,6-7,9,11H,3,5,8,13H2,1-2H3/t11-/m0/s1
InChIKeyVCIQOQRZVUSZCQ-NSHDSACASA-N
XLogP2.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methoxyphenyl)dodecan-2-amine
CID 63417344
1-(3-ethoxyphenyl)pentan-2-amine
CID 84752930
5-methoxy-1-(3-methoxyphenyl)hexan-2-amine
CID 105133883
(2S)-2-amino-3-(3-methoxyphenyl)propan-1-ol
CID 28804581
1-(3-methoxyphenyl)pentan-2-ol
CID 61261615
5-(2-methoxyethoxy)-1-(3-methoxyphenyl)pentan-2-amine
CID 103414989
(3S)-1-N-[(3-methoxyphenyl)methyl]-4-phenylbutane-1,3-diamine
CID 69321534
1-(4-bromophenyl)-3-(3-methoxyphenyl)propan-2-amine
CID 61263481
1-chloro-2-(3-methoxyphenyl)ethanamine
CID 67681258
3-ethoxy-1-(3-methoxyphenyl)butan-2-amine
CID 64541774
1-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 105133732
4-(3-methoxyphenyl)-3-methylbutan-2-amine
CID 60995099

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3-methoxyphenyl)pentan-2-amine?
The IUPAC name of (2S)-1-(3-methoxyphenyl)pentan-2-amine (CID 89063549) is (2S)-1-(3-methoxyphenyl)pentan-2-amine.
What is the SMILES notation for (2S)-1-(3-methoxyphenyl)pentan-2-amine?
The canonical SMILES for (2S)-1-(3-methoxyphenyl)pentan-2-amine is CCC[C@H](N)Cc1cccc(OC)c1.
What is the InChIKey of (2S)-1-(3-methoxyphenyl)pentan-2-amine?
The InChIKey is VCIQOQRZVUSZCQ-NSHDSACASA-N. The full InChI is InChI=1S/C12H19NO/c1-3-5-11(13)8-10-6-4-7-12(9-10)14-2/h4,6-7,9,11H,3,5,8,13H2,1-2H3/t11-/m0/s1.
What are the key properties of (2S)-1-(3-methoxyphenyl)pentan-2-amine?
(2S)-1-(3-methoxyphenyl)pentan-2-amine has a molecular weight of 193.29 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3-methoxyphenyl)pentan-2-amine is sourced from PubChem (CID 89063549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).