2-(3-methylbutylamino)-2-phenylpropan-1-ol

C14H23NO — CID 115619641

IUPAC2-(3-methylbutylamino)-2-phenylpropan-1-ol
SMILESCC(C)CCNC(C)(CO)c1ccccc1
InChIInChI=1S/C14H23NO/c1-12(2)9-10-15-14(3,11-16)13-7-5-4-6-8-13/h4-8,12,15-16H,9-11H2,1-3H3
InChIKeyCBAJPRZRUCKKNE-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.53
Rot. Bonds6

About 2-(3-methylbutylamino)-2-phenylpropan-1-ol

2-(3-methylbutylamino)-2-phenylpropan-1-ol (PubChem CID 115619641) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-(3-methylbutylamino)-2-phenylpropan-1-ol.

Molecular Properties

Compound Name2-(3-methylbutylamino)-2-phenylpropan-1-ol
PubChem CID115619641
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-(3-methylbutylamino)-2-phenylpropan-1-ol
SMILESCC(C)CCNC(C)(CO)c1ccccc1
InChIInChI=1S/C14H23NO/c1-12(2)9-10-15-14(3,11-16)13-7-5-4-6-8-13/h4-8,12,15-16H,9-11H2,1-3H3
InChIKeyCBAJPRZRUCKKNE-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-hydroxyethylamino)-2-phenylpropan-1-ol
CID 115674879
2-(2-methylbutylamino)-2-phenylpropan-1-ol
CID 115687949
2-(2-tert-butylsulfonylethylamino)-2-phenylpropan-1-ol
CID 103713971
2-(3-methoxypropylamino)-2-phenylpropan-1-ol
CID 115621374
5-[(1-hydroxy-2-phenylpropan-2-yl)amino]pentanoic acid
CID 113411730
(2R)-2-(methylamino)-2-phenylpropan-1-ol
CID 93471124
5-[(1-hydroxy-2-phenylpropan-2-yl)amino]-2,2-dimethylpentanenitrile
CID 115670388
2-[[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]amino]-2-phenylpropan-1-ol
CID 106990619
3-[(1-hydroxy-2-phenylpropan-2-yl)amino]-2,2-dimethylpropanoic acid
CID 105057934
N'-hydroxy-4-[(1-hydroxy-2-phenylpropan-2-yl)amino]butanimidamide
CID 105058316
2-(3-methylbutylamino)-2-phenylbutanoic acid
CID 114992700
2-[2-(4-bromophenoxy)ethylamino]-2-phenylpropan-1-ol
CID 115619649

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutylamino)-2-phenylpropan-1-ol?
The IUPAC name of 2-(3-methylbutylamino)-2-phenylpropan-1-ol (CID 115619641) is 2-(3-methylbutylamino)-2-phenylpropan-1-ol.
What is the SMILES notation for 2-(3-methylbutylamino)-2-phenylpropan-1-ol?
The canonical SMILES for 2-(3-methylbutylamino)-2-phenylpropan-1-ol is CC(C)CCNC(C)(CO)c1ccccc1.
What is the InChIKey of 2-(3-methylbutylamino)-2-phenylpropan-1-ol?
The InChIKey is CBAJPRZRUCKKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-12(2)9-10-15-14(3,11-16)13-7-5-4-6-8-13/h4-8,12,15-16H,9-11H2,1-3H3.
What are the key properties of 2-(3-methylbutylamino)-2-phenylpropan-1-ol?
2-(3-methylbutylamino)-2-phenylpropan-1-ol has a molecular weight of 221.34 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutylamino)-2-phenylpropan-1-ol is sourced from PubChem (CID 115619641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).