1-[[4-(2,2-dimethylpropyl)phenyl]methyl]cyclopropan-1-amine

C15H23N — CID 117310114

IUPAC1-[[4-(2,2-dimethylpropyl)phenyl]methyl]cyclopropan-1-amine
SMILESCC(C)(C)Cc1ccc(CC2(N)CC2)cc1
InChIInChI=1S/C15H23N/c1-14(2,3)10-12-4-6-13(7-5-12)11-15(16)8-9-15/h4-7H,8-11,16H2,1-3H3
InChIKeyQBGUKYHIBCQMAK-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.31
Rot. Bonds3

About 1-[[4-(2,2-dimethylpropyl)phenyl]methyl]cyclopropan-1-amine

1-[[4-(2,2-dimethylpropyl)phenyl]methyl]cyclopropan-1-amine (PubChem CID 117310114) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 1-[[4-(2,2-dimethylpropyl)phenyl]methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[[4-(2,2-dimethylpropyl)phenyl]methyl]cyclopropan-1-amine
PubChem CID117310114
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name1-[[4-(2,2-dimethylpropyl)phenyl]methyl]cyclopropan-1-amine
SMILESCC(C)(C)Cc1ccc(CC2(N)CC2)cc1
InChIInChI=1S/C15H23N/c1-14(2,3)10-12-4-6-13(7-5-12)11-15(16)8-9-15/h4-7H,8-11,16H2,1-3H3
InChIKeyQBGUKYHIBCQMAK-UHFFFAOYSA-N
XLogP3.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(4-iodophenyl)methyl]cyclopropan-1-amine
CID 58506888
1-[[4-(2-methylpropyl)phenyl]methyl]cyclopropan-1-amine
CID 116932038
1-[[4-(3-methoxy-3-methylbutyl)phenyl]methyl]cyclopropan-1-amine
CID 117116075
1-[[4-(2-methylsulfonylpropan-2-yl)phenyl]methyl]cyclopropan-1-amine
CID 117116098
1-[(4-methoxyphenyl)methyl]cyclopropan-1-amine;hydrochloride
CID 75361270
2-[4-[(1-aminocyclopropyl)methyl]phenyl]ethanol
CID 117116056
1-[[4-(2,2-difluoropropyl)phenyl]methyl]cyclopropan-1-ol
CID 117325494
2-(1-aminocyclobutyl)-4-(2,2-dimethylpropyl)phenol
CID 117339277
1-[(2-tert-butyl-3H-benzimidazol-5-yl)methyl]cyclopropan-1-amine
CID 117360875
4-[(1-amino-3,3-dimethylcyclopentyl)methyl]phenol
CID 80693061
1-(2,2-dimethylpropyl)-4-(1-isocyanatocyclopentyl)benzene
CID 117397155
1-[(4-bromophenyl)methyl]cyclopentan-1-amine
CID 60798345

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2,2-dimethylpropyl)phenyl]methyl]cyclopropan-1-amine?
The IUPAC name of 1-[[4-(2,2-dimethylpropyl)phenyl]methyl]cyclopropan-1-amine (CID 117310114) is 1-[[4-(2,2-dimethylpropyl)phenyl]methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[[4-(2,2-dimethylpropyl)phenyl]methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[[4-(2,2-dimethylpropyl)phenyl]methyl]cyclopropan-1-amine is CC(C)(C)Cc1ccc(CC2(N)CC2)cc1.
What is the InChIKey of 1-[[4-(2,2-dimethylpropyl)phenyl]methyl]cyclopropan-1-amine?
The InChIKey is QBGUKYHIBCQMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-14(2,3)10-12-4-6-13(7-5-12)11-15(16)8-9-15/h4-7H,8-11,16H2,1-3H3.
What are the key properties of 1-[[4-(2,2-dimethylpropyl)phenyl]methyl]cyclopropan-1-amine?
1-[[4-(2,2-dimethylpropyl)phenyl]methyl]cyclopropan-1-amine has a molecular weight of 217.36 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2,2-dimethylpropyl)phenyl]methyl]cyclopropan-1-amine is sourced from PubChem (CID 117310114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).