N-[(2-cyclopropylphenyl)methyl]-2-methylbutan-2-amine

C15H23N — CID 79889215

IUPACN-[(2-cyclopropylphenyl)methyl]-2-methylbutan-2-amine
SMILESCCC(C)(C)NCc1ccccc1C1CC1
InChIInChI=1S/C15H23N/c1-4-15(2,3)16-11-13-7-5-6-8-14(13)12-9-10-12/h5-8,12,16H,4,9-11H2,1-3H3
InChIKeyIBLVSYZYILIEPJ-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.84
Rot. Bonds5

About N-[(2-cyclopropylphenyl)methyl]-2-methylbutan-2-amine

N-[(2-cyclopropylphenyl)methyl]-2-methylbutan-2-amine (PubChem CID 79889215) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is N-[(2-cyclopropylphenyl)methyl]-2-methylbutan-2-amine.

Molecular Properties

Compound NameN-[(2-cyclopropylphenyl)methyl]-2-methylbutan-2-amine
PubChem CID79889215
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC NameN-[(2-cyclopropylphenyl)methyl]-2-methylbutan-2-amine
SMILESCCC(C)(C)NCc1ccccc1C1CC1
InChIInChI=1S/C15H23N/c1-4-15(2,3)16-11-13-7-5-6-8-14(13)12-9-10-12/h5-8,12,16H,4,9-11H2,1-3H3
InChIKeyIBLVSYZYILIEPJ-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-cyclopropylphenyl)methyl]-2-methylpropan-2-amine
CID 79888960
2-cyclopropyl-N-[(2-cyclopropylphenyl)methyl]propan-2-amine
CID 113252305
N-[(2-cyclopropylphenyl)methyl]-2-ethylaniline
CID 79979547
1-[(2-cyclopropylphenyl)methylamino]-2-methylpropan-2-ol
CID 79888885
1-[(2-cyclopropylphenyl)methylamino]-2-methylpentan-2-ol
CID 113252298
1-[2-(4-tert-butylcyclohexyl)phenyl]-N-methoxymethanamine
CID 117441204
(2S)-2-[(2-cyclopropylphenyl)methylamino]butan-1-ol
CID 104980617
[2-[(2-cyclopropylphenyl)methylamino]phenyl]methanol
CID 79979361
2-methyl-1-[2-(4-methylcyclohexyl)phenyl]propan-2-amine
CID 117366373
N-[(2-cyclopropylphenyl)methyl]-1-methylsulfanylbutan-2-amine
CID 115899991
N-[(2-cyclopropylphenyl)methyl]-2-(4-methylcyclohexyl)ethanamine
CID 79983931
N-methyl-1-[2-(oxan-4-yl)phenyl]methanamine
CID 83833008

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopropylphenyl)methyl]-2-methylbutan-2-amine?
The IUPAC name of N-[(2-cyclopropylphenyl)methyl]-2-methylbutan-2-amine (CID 79889215) is N-[(2-cyclopropylphenyl)methyl]-2-methylbutan-2-amine.
What is the SMILES notation for N-[(2-cyclopropylphenyl)methyl]-2-methylbutan-2-amine?
The canonical SMILES for N-[(2-cyclopropylphenyl)methyl]-2-methylbutan-2-amine is CCC(C)(C)NCc1ccccc1C1CC1.
What is the InChIKey of N-[(2-cyclopropylphenyl)methyl]-2-methylbutan-2-amine?
The InChIKey is IBLVSYZYILIEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-4-15(2,3)16-11-13-7-5-6-8-14(13)12-9-10-12/h5-8,12,16H,4,9-11H2,1-3H3.
What are the key properties of N-[(2-cyclopropylphenyl)methyl]-2-methylbutan-2-amine?
N-[(2-cyclopropylphenyl)methyl]-2-methylbutan-2-amine has a molecular weight of 217.36 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopropylphenyl)methyl]-2-methylbutan-2-amine is sourced from PubChem (CID 79889215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).