1-(pentan-2-ylamino)-3-phenylpropan-2-ol

C14H23NO — CID 110884310

IUPAC1-(pentan-2-ylamino)-3-phenylpropan-2-ol
SMILESCCCC(C)NCC(O)Cc1ccccc1
InChIInChI=1S/C14H23NO/c1-3-7-12(2)15-11-14(16)10-13-8-5-4-6-9-13/h4-6,8-9,12,14-16H,3,7,10-11H2,1-2H3
InChIKeyNREDVKLYZYVYRE-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.37
Rot. Bonds7

About 1-(pentan-2-ylamino)-3-phenylpropan-2-ol

1-(pentan-2-ylamino)-3-phenylpropan-2-ol (PubChem CID 110884310) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-(pentan-2-ylamino)-3-phenylpropan-2-ol.

Molecular Properties

Compound Name1-(pentan-2-ylamino)-3-phenylpropan-2-ol
PubChem CID110884310
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-(pentan-2-ylamino)-3-phenylpropan-2-ol
SMILESCCCC(C)NCC(O)Cc1ccccc1
InChIInChI=1S/C14H23NO/c1-3-7-12(2)15-11-14(16)10-13-8-5-4-6-9-13/h4-6,8-9,12,14-16H,3,7,10-11H2,1-2H3
InChIKeyNREDVKLYZYVYRE-UHFFFAOYSA-N
XLogP2.37
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-3-(4-pyrazol-1-ylbutan-2-ylamino)propan-2-ol
CID 110012165
2-N-benzyl-2-N-methyl-1-N-pentan-2-ylpropane-1,2-diamine
CID 62558509
1-(diethylamino)-3-(4-phenylbutan-2-ylamino)propan-2-ol
CID 60710732
2-(pentan-2-ylamino)-3-phenylpropan-1-ol
CID 63260839
4,4-dimethyl-1-(4-phenylbutan-2-ylamino)pentan-2-ol
CID 103729747
3-methyl-1-phenylhexan-2-ol
CID 63018482
1,6-diphenylhexane-2,5-diol
CID 15072586
1-(1-phenylpropan-2-ylamino)-3-pyrazol-1-ylpropan-2-ol
CID 63011260
1-[1-(4-methylphenyl)propylamino]-3-phenylpropan-2-ol
CID 112811027
1-phenylhexane-2,3-diol
CID 68731092
(2S)-1-[[(2R)-1-(4-bromopyrazol-1-yl)propan-2-yl]amino]-3-phenylpropan-2-ol
CID 97231624
1-[1-[2-(difluoromethoxy)phenyl]ethylamino]-3-phenylpropan-2-ol
CID 110887860

Frequently Asked Questions

What is the IUPAC name of 1-(pentan-2-ylamino)-3-phenylpropan-2-ol?
The IUPAC name of 1-(pentan-2-ylamino)-3-phenylpropan-2-ol (CID 110884310) is 1-(pentan-2-ylamino)-3-phenylpropan-2-ol.
What is the SMILES notation for 1-(pentan-2-ylamino)-3-phenylpropan-2-ol?
The canonical SMILES for 1-(pentan-2-ylamino)-3-phenylpropan-2-ol is CCCC(C)NCC(O)Cc1ccccc1.
What is the InChIKey of 1-(pentan-2-ylamino)-3-phenylpropan-2-ol?
The InChIKey is NREDVKLYZYVYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-3-7-12(2)15-11-14(16)10-13-8-5-4-6-9-13/h4-6,8-9,12,14-16H,3,7,10-11H2,1-2H3.
What are the key properties of 1-(pentan-2-ylamino)-3-phenylpropan-2-ol?
1-(pentan-2-ylamino)-3-phenylpropan-2-ol has a molecular weight of 221.34 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pentan-2-ylamino)-3-phenylpropan-2-ol is sourced from PubChem (CID 110884310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).