1-[(2-cyclopropylphenyl)methylamino]-2-methylpentan-2-ol

C16H25NO — CID 113252298

IUPAC1-[(2-cyclopropylphenyl)methylamino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNCc1ccccc1C1CC1
InChIInChI=1S/C16H25NO/c1-3-10-16(2,18)12-17-11-14-6-4-5-7-15(14)13-8-9-13/h4-7,13,17-18H,3,8-12H2,1-2H3
InChIKeyDLYKPIRNUSTPCU-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.20
Rot. Bonds7

About 1-[(2-cyclopropylphenyl)methylamino]-2-methylpentan-2-ol

1-[(2-cyclopropylphenyl)methylamino]-2-methylpentan-2-ol (PubChem CID 113252298) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-[(2-cyclopropylphenyl)methylamino]-2-methylpentan-2-ol.

Molecular Properties

Compound Name1-[(2-cyclopropylphenyl)methylamino]-2-methylpentan-2-ol
PubChem CID113252298
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-[(2-cyclopropylphenyl)methylamino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNCc1ccccc1C1CC1
InChIInChI=1S/C16H25NO/c1-3-10-16(2,18)12-17-11-14-6-4-5-7-15(14)13-8-9-13/h4-7,13,17-18H,3,8-12H2,1-2H3
InChIKeyDLYKPIRNUSTPCU-UHFFFAOYSA-N
XLogP3.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-cyclopropylphenyl)methylamino]-2-methylpropan-2-ol
CID 79888885
2-[[(2-hydroxy-2-methylpentyl)amino]methyl]phenol
CID 115623477
N-[(2-cyclopropylphenyl)methyl]-2-methylpropan-2-amine
CID 79888960
2-methyl-1-[(4-phenylcyclohexyl)amino]pentan-2-ol
CID 103783342
N-[(2-cyclopropylphenyl)methyl]-2-methylbutan-2-amine
CID 79889215
2-methyl-1-[(2,4,5-trifluorophenyl)methylamino]pentan-2-ol
CID 113263596
N-[(2-cyclopropylphenyl)methyl]-2-(4-methylcyclohexyl)ethanamine
CID 79983931
2-cyclopropyl-N-[(2-cyclopropylphenyl)methyl]propan-2-amine
CID 113252305
N-[(2-cyclopropylphenyl)methyl]-2-ethylaniline
CID 79979547
2-[(2-cyclopropylphenyl)methylamino]acetic acid
CID 79979274
methyl 2-[(2-cyclopropylphenyl)methylamino]acetate
CID 79978808
1-(2-cyclopropylphenyl)-N-[(2-methoxyphenyl)methyl]methanamine
CID 79889709

Frequently Asked Questions

What is the IUPAC name of 1-[(2-cyclopropylphenyl)methylamino]-2-methylpentan-2-ol?
The IUPAC name of 1-[(2-cyclopropylphenyl)methylamino]-2-methylpentan-2-ol (CID 113252298) is 1-[(2-cyclopropylphenyl)methylamino]-2-methylpentan-2-ol.
What is the SMILES notation for 1-[(2-cyclopropylphenyl)methylamino]-2-methylpentan-2-ol?
The canonical SMILES for 1-[(2-cyclopropylphenyl)methylamino]-2-methylpentan-2-ol is CCCC(C)(O)CNCc1ccccc1C1CC1.
What is the InChIKey of 1-[(2-cyclopropylphenyl)methylamino]-2-methylpentan-2-ol?
The InChIKey is DLYKPIRNUSTPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-10-16(2,18)12-17-11-14-6-4-5-7-15(14)13-8-9-13/h4-7,13,17-18H,3,8-12H2,1-2H3.
What are the key properties of 1-[(2-cyclopropylphenyl)methylamino]-2-methylpentan-2-ol?
1-[(2-cyclopropylphenyl)methylamino]-2-methylpentan-2-ol has a molecular weight of 247.38 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-cyclopropylphenyl)methylamino]-2-methylpentan-2-ol is sourced from PubChem (CID 113252298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).