1-[(4-cyclopropylphenyl)methylamino]-4,4-dimethylpentan-2-ol

C17H27NO — CID 107151387

IUPAC1-[(4-cyclopropylphenyl)methylamino]-4,4-dimethylpentan-2-ol
SMILESCC(C)(C)CC(O)CNCc1ccc(C2CC2)cc1
InChIInChI=1S/C17H27NO/c1-17(2,3)10-16(19)12-18-11-13-4-6-14(7-5-13)15-8-9-15/h4-7,15-16,18-19H,8-12H2,1-3H3
InChIKeyLSUZFCAJNCXTFQ-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.45
Rot. Bonds6

About 1-[(4-cyclopropylphenyl)methylamino]-4,4-dimethylpentan-2-ol

1-[(4-cyclopropylphenyl)methylamino]-4,4-dimethylpentan-2-ol (PubChem CID 107151387) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-[(4-cyclopropylphenyl)methylamino]-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-[(4-cyclopropylphenyl)methylamino]-4,4-dimethylpentan-2-ol
PubChem CID107151387
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-[(4-cyclopropylphenyl)methylamino]-4,4-dimethylpentan-2-ol
SMILESCC(C)(C)CC(O)CNCc1ccc(C2CC2)cc1
InChIInChI=1S/C17H27NO/c1-17(2,3)10-16(19)12-18-11-13-4-6-14(7-5-13)15-8-9-15/h4-7,15-16,18-19H,8-12H2,1-3H3
InChIKeyLSUZFCAJNCXTFQ-UHFFFAOYSA-N
XLogP3.45
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-cyclopropylphenyl)methylamino]-4,4-dimethylpentan-2-ol
CID 107151346
N-[(4-cyclopropylphenyl)methyl]-2-methylpropan-1-amine
CID 79979534
1-[(3-chloro-4-fluorophenyl)methylamino]-4,4-dimethylpentan-2-ol
CID 113338450
3-[(4-cyclopropylphenyl)methylamino]-2-methylpropanenitrile
CID 79983921
2-fluoro-5-[[(2-hydroxy-4,4-dimethylpentyl)amino]methyl]benzonitrile
CID 107880610
1-[(2,6-dimethylphenyl)methylamino]-4,4-dimethylpentan-2-ol
CID 103908815
2-[(4-cyclopropylphenyl)methylamino]-1-thiophen-3-ylethanol
CID 106434767
1-[(2,5-difluorophenyl)methylamino]-4,4-dimethylpentan-2-ol
CID 103675866
3-[(4-cyclopropylphenyl)methylamino]-2,3-dimethylbutan-2-ol
CID 106185527
N-[(4-cyclopropylphenyl)methyl]propan-2-amine
CID 62491335
1-cyclopentyl-N-[(4-cyclopropylphenyl)methyl]methanamine
CID 79978986
1-[[5-(hydroxymethyl)furan-2-yl]methylamino]-4,4-dimethylpentan-2-ol
CID 103699609

Frequently Asked Questions

What is the IUPAC name of 1-[(4-cyclopropylphenyl)methylamino]-4,4-dimethylpentan-2-ol?
The IUPAC name of 1-[(4-cyclopropylphenyl)methylamino]-4,4-dimethylpentan-2-ol (CID 107151387) is 1-[(4-cyclopropylphenyl)methylamino]-4,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-[(4-cyclopropylphenyl)methylamino]-4,4-dimethylpentan-2-ol?
The canonical SMILES for 1-[(4-cyclopropylphenyl)methylamino]-4,4-dimethylpentan-2-ol is CC(C)(C)CC(O)CNCc1ccc(C2CC2)cc1.
What is the InChIKey of 1-[(4-cyclopropylphenyl)methylamino]-4,4-dimethylpentan-2-ol?
The InChIKey is LSUZFCAJNCXTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-17(2,3)10-16(19)12-18-11-13-4-6-14(7-5-13)15-8-9-15/h4-7,15-16,18-19H,8-12H2,1-3H3.
What are the key properties of 1-[(4-cyclopropylphenyl)methylamino]-4,4-dimethylpentan-2-ol?
1-[(4-cyclopropylphenyl)methylamino]-4,4-dimethylpentan-2-ol has a molecular weight of 261.41 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-cyclopropylphenyl)methylamino]-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 107151387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).