1-(methylamino)-4-phenylpentan-2-ol

C12H19NO — CID 62773320

IUPAC1-(methylamino)-4-phenylpentan-2-ol
SMILESCNCC(O)CC(C)c1ccccc1
InChIInChI=1S/C12H19NO/c1-10(8-12(14)9-13-2)11-6-4-3-5-7-11/h3-7,10,12-14H,8-9H2,1-2H3
InChIKeyNPXJTOUNIUDRIU-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.76
Rot. Bonds5

About 1-(methylamino)-4-phenylpentan-2-ol

1-(methylamino)-4-phenylpentan-2-ol (PubChem CID 62773320) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-(methylamino)-4-phenylpentan-2-ol.

Molecular Properties

Compound Name1-(methylamino)-4-phenylpentan-2-ol
PubChem CID62773320
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-(methylamino)-4-phenylpentan-2-ol
SMILESCNCC(O)CC(C)c1ccccc1
InChIInChI=1S/C12H19NO/c1-10(8-12(14)9-13-2)11-6-4-3-5-7-11/h3-7,10,12-14H,8-9H2,1-2H3
InChIKeyNPXJTOUNIUDRIU-UHFFFAOYSA-N
XLogP1.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(cyclodecapentaenyl)-N-methylpropan-1-amine
CID 166722722
(4R)-2-methyl-6-phenylheptan-4-ol
CID 135043417
3-phenylbutane-1,1-diol
CID 18417931
6-methyl-2-phenylnonan-4-ol
CID 65150012
1-nitro-4-phenylpentan-2-ol
CID 121216644
(2R)-2-phenyl-N-[(2S)-2-phenylpropyl]propan-1-amine
CID 7054159
(1R)-1-phenyl-2-(2-phenylpropylamino)ethanol
CID 67763390
1-phenyl-2-(2-phenylpropylamino)ethanol
CID 17158257
1-(2-phenylpropylamino)propan-2-ol;hydrochloride
CID 17157480
1-ethylsulfonyl-6-phenylheptan-4-ol
CID 65150364
7-methoxy-7-methyl-2-phenyloctan-4-ol
CID 103035120
1,3-bis[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 15470316

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-4-phenylpentan-2-ol?
The IUPAC name of 1-(methylamino)-4-phenylpentan-2-ol (CID 62773320) is 1-(methylamino)-4-phenylpentan-2-ol.
What is the SMILES notation for 1-(methylamino)-4-phenylpentan-2-ol?
The canonical SMILES for 1-(methylamino)-4-phenylpentan-2-ol is CNCC(O)CC(C)c1ccccc1.
What is the InChIKey of 1-(methylamino)-4-phenylpentan-2-ol?
The InChIKey is NPXJTOUNIUDRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-10(8-12(14)9-13-2)11-6-4-3-5-7-11/h3-7,10,12-14H,8-9H2,1-2H3.
What are the key properties of 1-(methylamino)-4-phenylpentan-2-ol?
1-(methylamino)-4-phenylpentan-2-ol has a molecular weight of 193.29 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-4-phenylpentan-2-ol is sourced from PubChem (CID 62773320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).