2-methyl-1-(4-phenylbutan-2-ylamino)pentan-2-ol

C16H27NO — CID 103729692

IUPAC2-methyl-1-(4-phenylbutan-2-ylamino)pentan-2-ol
SMILESCCCC(C)(O)CNC(C)CCc1ccccc1
InChIInChI=1S/C16H27NO/c1-4-12-16(3,18)13-17-14(2)10-11-15-8-6-5-7-9-15/h5-9,14,17-18H,4,10-13H2,1-3H3
InChIKeyYLCZCAFFKNNPHL-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.15
Rot. Bonds8

About 2-methyl-1-(4-phenylbutan-2-ylamino)pentan-2-ol

2-methyl-1-(4-phenylbutan-2-ylamino)pentan-2-ol (PubChem CID 103729692) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-methyl-1-(4-phenylbutan-2-ylamino)pentan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(4-phenylbutan-2-ylamino)pentan-2-ol
PubChem CID103729692
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name2-methyl-1-(4-phenylbutan-2-ylamino)pentan-2-ol
SMILESCCCC(C)(O)CNC(C)CCc1ccccc1
InChIInChI=1S/C16H27NO/c1-4-12-16(3,18)13-17-14(2)10-11-15-8-6-5-7-9-15/h5-9,14,17-18H,4,10-13H2,1-3H3
InChIKeyYLCZCAFFKNNPHL-UHFFFAOYSA-N
XLogP3.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-3-(4-phenylbutan-2-ylamino)propan-1-ol
CID 81413862
2-methyl-2-[(4-phenylbutan-2-ylamino)methyl]butan-1-ol
CID 81411110
2-methyl-1-(2-methylpropylamino)-4-phenylbutan-2-ol
CID 62774344
1-(benzhydrylamino)-2-methylpentan-2-ol
CID 103948284
2-methyl-1-(1-phenylpropan-2-ylamino)butan-2-ol
CID 65108155
4,4-dimethyl-1-(4-phenylbutan-2-ylamino)pentan-2-ol
CID 103729747
N-(2-methyl-2-methylsulfonylpropyl)-4-phenylbutan-2-amine
CID 79551723
1-[4-(4-methoxyphenyl)butan-2-ylamino]-2-methylbutan-2-ol
CID 65108512
2-methyl-1-(6-methylheptan-2-ylamino)pentan-2-ol
CID 115719490
4-methyl-1-phenylheptan-4-ol
CID 67874665
3,5-dimethyl-1-phenylhexan-3-ol
CID 12643765
2-methyl-1-[(2,2,2-trifluoro-1-phenylethyl)amino]pentan-2-ol
CID 106292736

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-phenylbutan-2-ylamino)pentan-2-ol?
The IUPAC name of 2-methyl-1-(4-phenylbutan-2-ylamino)pentan-2-ol (CID 103729692) is 2-methyl-1-(4-phenylbutan-2-ylamino)pentan-2-ol.
What is the SMILES notation for 2-methyl-1-(4-phenylbutan-2-ylamino)pentan-2-ol?
The canonical SMILES for 2-methyl-1-(4-phenylbutan-2-ylamino)pentan-2-ol is CCCC(C)(O)CNC(C)CCc1ccccc1.
What is the InChIKey of 2-methyl-1-(4-phenylbutan-2-ylamino)pentan-2-ol?
The InChIKey is YLCZCAFFKNNPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-4-12-16(3,18)13-17-14(2)10-11-15-8-6-5-7-9-15/h5-9,14,17-18H,4,10-13H2,1-3H3.
What are the key properties of 2-methyl-1-(4-phenylbutan-2-ylamino)pentan-2-ol?
2-methyl-1-(4-phenylbutan-2-ylamino)pentan-2-ol has a molecular weight of 249.40 g/mol, XLogP of 3.15, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-phenylbutan-2-ylamino)pentan-2-ol is sourced from PubChem (CID 103729692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).