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

C14H21NO — CID 79888885

IUPAC1-[(2-cyclopropylphenyl)methylamino]-2-methylpropan-2-ol
SMILESCC(C)(O)CNCc1ccccc1C1CC1
InChIInChI=1S/C14H21NO/c1-14(2,16)10-15-9-12-5-3-4-6-13(12)11-7-8-11/h3-6,11,15-16H,7-10H2,1-2H3
InChIKeyPMMJGKPTBVMIAP-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.42
Rot. Bonds5

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

1-[(2-cyclopropylphenyl)methylamino]-2-methylpropan-2-ol (PubChem CID 79888885) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-[(2-cyclopropylphenyl)methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(2-cyclopropylphenyl)methylamino]-2-methylpropan-2-ol
PubChem CID79888885
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-[(2-cyclopropylphenyl)methylamino]-2-methylpropan-2-ol
SMILESCC(C)(O)CNCc1ccccc1C1CC1
InChIInChI=1S/C14H21NO/c1-14(2,16)10-15-9-12-5-3-4-6-13(12)11-7-8-11/h3-6,11,15-16H,7-10H2,1-2H3
InChIKeyPMMJGKPTBVMIAP-UHFFFAOYSA-N
XLogP2.42
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-cyclopropylphenyl)methylamino]-2-methylpentan-2-ol
CID 113252298
N-[(2-cyclopropylphenyl)methyl]-2-methylpropan-2-amine
CID 79888960
1-[(2-bromophenyl)methylamino]-2-methylpropan-2-ol
CID 61401916
N-[(2-cyclopropylphenyl)methyl]-2-methylbutan-2-amine
CID 79889215
2-cyclopropyl-N-[(2-cyclopropylphenyl)methyl]propan-2-amine
CID 113252305
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
N-[(2-cyclopropylphenyl)methyl]-2-(4-methylcyclohexyl)ethanamine
CID 79983931
N-[(2-cyclopropylphenyl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 79889978
[2-[(2-cyclopropylphenyl)methylamino]phenyl]methanol
CID 79979361
N'-[(2-cyclopropylphenyl)methyl]propane-1,3-diamine
CID 79979438

Frequently Asked Questions

What is the IUPAC name of 1-[(2-cyclopropylphenyl)methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(2-cyclopropylphenyl)methylamino]-2-methylpropan-2-ol (CID 79888885) is 1-[(2-cyclopropylphenyl)methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(2-cyclopropylphenyl)methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(2-cyclopropylphenyl)methylamino]-2-methylpropan-2-ol is CC(C)(O)CNCc1ccccc1C1CC1.
What is the InChIKey of 1-[(2-cyclopropylphenyl)methylamino]-2-methylpropan-2-ol?
The InChIKey is PMMJGKPTBVMIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-14(2,16)10-15-9-12-5-3-4-6-13(12)11-7-8-11/h3-6,11,15-16H,7-10H2,1-2H3.
What are the key properties of 1-[(2-cyclopropylphenyl)methylamino]-2-methylpropan-2-ol?
1-[(2-cyclopropylphenyl)methylamino]-2-methylpropan-2-ol has a molecular weight of 219.33 g/mol, XLogP of 2.42, 5 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-methylpropan-2-ol is sourced from PubChem (CID 79888885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).