1-[(3-cyclopropylphenyl)methylamino]-4,4-dimethylpentan-2-ol

C17H27NO — CID 107151346

IUPAC1-[(3-cyclopropylphenyl)methylamino]-4,4-dimethylpentan-2-ol
SMILESCC(C)(C)CC(O)CNCc1cccc(C2CC2)c1
InChIInChI=1S/C17H27NO/c1-17(2,3)10-16(19)12-18-11-13-5-4-6-15(9-13)14-7-8-14/h4-6,9,14,16,18-19H,7-8,10-12H2,1-3H3
InChIKeyZOTZJJXNVUVXFH-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.45
Rot. Bonds6

About 1-[(3-cyclopropylphenyl)methylamino]-4,4-dimethylpentan-2-ol

1-[(3-cyclopropylphenyl)methylamino]-4,4-dimethylpentan-2-ol (PubChem CID 107151346) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-[(3-cyclopropylphenyl)methylamino]-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-[(3-cyclopropylphenyl)methylamino]-4,4-dimethylpentan-2-ol
PubChem CID107151346
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-[(3-cyclopropylphenyl)methylamino]-4,4-dimethylpentan-2-ol
SMILESCC(C)(C)CC(O)CNCc1cccc(C2CC2)c1
InChIInChI=1S/C17H27NO/c1-17(2,3)10-16(19)12-18-11-13-5-4-6-15(9-13)14-7-8-14/h4-6,9,14,16,18-19H,7-8,10-12H2,1-3H3
InChIKeyZOTZJJXNVUVXFH-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-[(4-cyclopropylphenyl)methylamino]-4,4-dimethylpentan-2-ol
CID 107151387
N-[(3-cyclopropylphenyl)methyl]-1-(4-ethylphenyl)methanamine
CID 106899392
N-[(3-cyclopropylphenyl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 113450002
1-[(2,6-dimethylphenyl)methylamino]-4,4-dimethylpentan-2-ol
CID 103908815
1-cyclopentyl-N-[(3-cyclopropylphenyl)methyl]methanamine
CID 79978912
1-cyclobutyl-N-[(3-cyclopropylphenyl)methyl]methanamine
CID 79979705
1-[(3-chloro-4-fluorophenyl)methylamino]-4,4-dimethylpentan-2-ol
CID 113338450
N'-[(3-cyclopropylphenyl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 79970542
2-[(3-cyclopropylphenyl)methylamino]-2-methylpropanamide
CID 79979589
N-[1-[(3-cyclopropylphenyl)methylamino]-2-methylpropan-2-yl]methanesulfonamide
CID 79984386
1-[(2,5-difluorophenyl)methylamino]-4,4-dimethylpentan-2-ol
CID 103675866
2-fluoro-5-[[(2-hydroxy-4,4-dimethylpentyl)amino]methyl]benzonitrile
CID 107880610

Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyclopropylphenyl)methylamino]-4,4-dimethylpentan-2-ol?
The IUPAC name of 1-[(3-cyclopropylphenyl)methylamino]-4,4-dimethylpentan-2-ol (CID 107151346) is 1-[(3-cyclopropylphenyl)methylamino]-4,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-[(3-cyclopropylphenyl)methylamino]-4,4-dimethylpentan-2-ol?
The canonical SMILES for 1-[(3-cyclopropylphenyl)methylamino]-4,4-dimethylpentan-2-ol is CC(C)(C)CC(O)CNCc1cccc(C2CC2)c1.
What is the InChIKey of 1-[(3-cyclopropylphenyl)methylamino]-4,4-dimethylpentan-2-ol?
The InChIKey is ZOTZJJXNVUVXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-17(2,3)10-16(19)12-18-11-13-5-4-6-15(9-13)14-7-8-14/h4-6,9,14,16,18-19H,7-8,10-12H2,1-3H3.
What are the key properties of 1-[(3-cyclopropylphenyl)methylamino]-4,4-dimethylpentan-2-ol?
1-[(3-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-[(3-cyclopropylphenyl)methylamino]-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 107151346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).