2-phenyl-1-(propan-2-ylamino)pentan-2-ol

C14H23NO — CID 62773592

IUPAC2-phenyl-1-(propan-2-ylamino)pentan-2-ol
SMILESCCCC(O)(CNC(C)C)c1ccccc1
InChIInChI=1S/C14H23NO/c1-4-10-14(16,11-15-12(2)3)13-8-6-5-7-9-13/h5-9,12,15-16H,4,10-11H2,1-3H3
InChIKeyIXMBJQGIWJXVNA-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.67
Rot. Bonds6

About 2-phenyl-1-(propan-2-ylamino)pentan-2-ol

2-phenyl-1-(propan-2-ylamino)pentan-2-ol (PubChem CID 62773592) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-phenyl-1-(propan-2-ylamino)pentan-2-ol.

Molecular Properties

Compound Name2-phenyl-1-(propan-2-ylamino)pentan-2-ol
PubChem CID62773592
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-phenyl-1-(propan-2-ylamino)pentan-2-ol
SMILESCCCC(O)(CNC(C)C)c1ccccc1
InChIInChI=1S/C14H23NO/c1-4-10-14(16,11-15-12(2)3)13-8-6-5-7-9-13/h5-9,12,15-16H,4,10-11H2,1-3H3
InChIKeyIXMBJQGIWJXVNA-UHFFFAOYSA-N
XLogP2.67
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclopropylamino)-2-phenylpentan-2-ol
CID 62774377
1-methoxy-2-phenylpentan-2-ol
CID 79566426
1-cyclopentyl-2-phenylpentan-2-ol
CID 65147061
(2R)-2-amino-1,1-diphenyl-3-(propan-2-ylamino)propan-1-ol
CID 134905502
2-ethyl-3-methyl-2-phenyl-N-propan-2-ylhexan-1-amine
CID 107897390
1-(2,4-dimethylphenyl)-1-phenyl-2-(propan-2-ylamino)ethanol
CID 62774556
1-(4-methylphenyl)-2-phenylpentan-2-ol
CID 60797697
N-benzyl-N,2-dimethyl-N'-propan-2-yl-2-propylpropane-1,3-diamine
CID 62262477
1-amino-3-phenylpentan-3-ol
CID 79006155
1-azido-2-phenylpentan-2-ol
CID 141488239
1-(4-bromophenyl)-2-phenylpentan-2-ol
CID 60797698
1-(hexan-2-ylamino)-2-phenylpropan-2-ol
CID 62374352

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-(propan-2-ylamino)pentan-2-ol?
The IUPAC name of 2-phenyl-1-(propan-2-ylamino)pentan-2-ol (CID 62773592) is 2-phenyl-1-(propan-2-ylamino)pentan-2-ol.
What is the SMILES notation for 2-phenyl-1-(propan-2-ylamino)pentan-2-ol?
The canonical SMILES for 2-phenyl-1-(propan-2-ylamino)pentan-2-ol is CCCC(O)(CNC(C)C)c1ccccc1.
What is the InChIKey of 2-phenyl-1-(propan-2-ylamino)pentan-2-ol?
The InChIKey is IXMBJQGIWJXVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-10-14(16,11-15-12(2)3)13-8-6-5-7-9-13/h5-9,12,15-16H,4,10-11H2,1-3H3.
What are the key properties of 2-phenyl-1-(propan-2-ylamino)pentan-2-ol?
2-phenyl-1-(propan-2-ylamino)pentan-2-ol has a molecular weight of 221.34 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-(propan-2-ylamino)pentan-2-ol is sourced from PubChem (CID 62773592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).