2,2-dimethyl-3-(4-phenylbutan-2-ylamino)propan-1-ol

C15H25NO — CID 81413862

IUPAC2,2-dimethyl-3-(4-phenylbutan-2-ylamino)propan-1-ol
SMILESCC(CCc1ccccc1)NCC(C)(C)CO
InChIInChI=1S/C15H25NO/c1-13(16-11-15(2,3)12-17)9-10-14-7-5-4-6-8-14/h4-8,13,16-17H,9-12H2,1-3H3
InChIKeyGQNZDDCOXCJSIM-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.62
Rot. Bonds7

About 2,2-dimethyl-3-(4-phenylbutan-2-ylamino)propan-1-ol

2,2-dimethyl-3-(4-phenylbutan-2-ylamino)propan-1-ol (PubChem CID 81413862) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2,2-dimethyl-3-(4-phenylbutan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-(4-phenylbutan-2-ylamino)propan-1-ol
PubChem CID81413862
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2,2-dimethyl-3-(4-phenylbutan-2-ylamino)propan-1-ol
SMILESCC(CCc1ccccc1)NCC(C)(C)CO
InChIInChI=1S/C15H25NO/c1-13(16-11-15(2,3)12-17)9-10-14-7-5-4-6-8-14/h4-8,13,16-17H,9-12H2,1-3H3
InChIKeyGQNZDDCOXCJSIM-UHFFFAOYSA-N
XLogP2.62
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-[(4-phenylbutan-2-ylamino)methyl]butan-1-ol
CID 81411110
2-methyl-1-(4-phenylbutan-2-ylamino)pentan-2-ol
CID 103729692
N-(2-methyl-2-methylsulfonylpropyl)-4-phenylbutan-2-amine
CID 79551723
2-methyl-3-(4-phenylbutan-2-ylamino)propan-1-ol
CID 65037471
4,4-dimethyl-1-(4-phenylbutan-2-ylamino)pentan-2-ol
CID 103729747
N-(2-methyl-2-thiophen-2-ylpropyl)-4-phenylbutan-2-amine
CID 78963724
3-[1-(3-fluorophenyl)propan-2-ylamino]-2,2-dimethylpropan-1-ol
CID 115894977
2,2-dimethyl-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 51374320
4-[3-[(2,2-difluoro-3-hydroxypropyl)amino]butyl]phenol
CID 113472109
2,2-dimethyl-4-phenyl-N-propan-2-ylbutan-1-amine
CID 65308891
2,2-dimethyl-4-phenylbutan-1-ol
CID 59141048
2-[[(2S)-4-phenylbutan-2-yl]amino]-N-propan-2-ylacetamide
CID 93035071

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(4-phenylbutan-2-ylamino)propan-1-ol?
The IUPAC name of 2,2-dimethyl-3-(4-phenylbutan-2-ylamino)propan-1-ol (CID 81413862) is 2,2-dimethyl-3-(4-phenylbutan-2-ylamino)propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-(4-phenylbutan-2-ylamino)propan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-(4-phenylbutan-2-ylamino)propan-1-ol is CC(CCc1ccccc1)NCC(C)(C)CO.
What is the InChIKey of 2,2-dimethyl-3-(4-phenylbutan-2-ylamino)propan-1-ol?
The InChIKey is GQNZDDCOXCJSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-13(16-11-15(2,3)12-17)9-10-14-7-5-4-6-8-14/h4-8,13,16-17H,9-12H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-(4-phenylbutan-2-ylamino)propan-1-ol?
2,2-dimethyl-3-(4-phenylbutan-2-ylamino)propan-1-ol has a molecular weight of 235.37 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(4-phenylbutan-2-ylamino)propan-1-ol is sourced from PubChem (CID 81413862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).