[1-(aminomethyl)cyclopropyl]-(4-propan-2-ylphenyl)methanone

C14H19NO — CID 116601363

IUPAC[1-(aminomethyl)cyclopropyl]-(4-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccc(C(=O)C2(CN)CC2)cc1
InChIInChI=1S/C14H19NO/c1-10(2)11-3-5-12(6-4-11)13(16)14(9-15)7-8-14/h3-6,10H,7-9,15H2,1-2H3
InChIKeyUWZSVMFZSNIHSM-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.73
Rot. Bonds4

About [1-(aminomethyl)cyclopropyl]-(4-propan-2-ylphenyl)methanone

[1-(aminomethyl)cyclopropyl]-(4-propan-2-ylphenyl)methanone (PubChem CID 116601363) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is [1-(aminomethyl)cyclopropyl]-(4-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name[1-(aminomethyl)cyclopropyl]-(4-propan-2-ylphenyl)methanone
PubChem CID116601363
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name[1-(aminomethyl)cyclopropyl]-(4-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccc(C(=O)C2(CN)CC2)cc1
InChIInChI=1S/C14H19NO/c1-10(2)11-3-5-12(6-4-11)13(16)14(9-15)7-8-14/h3-6,10H,7-9,15H2,1-2H3
InChIKeyUWZSVMFZSNIHSM-UHFFFAOYSA-N
XLogP2.73
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(aminomethyl)cyclopropyl]-(4-methylphenyl)methanone
CID 116601146
[1-(aminomethyl)cyclopropyl]-(4-propan-2-ylsulfanylphenyl)methanone
CID 116921275
[1-(aminomethyl)cyclobutyl]-(4-chlorophenyl)methanone
CID 116600291
[1-(aminomethyl)cyclohexyl]-(4-methylphenyl)methanone
CID 116600553
[1-(aminomethyl)cyclobutyl]-phenylmethanone
CID 116600332
N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-4-propan-2-ylbenzamide
CID 115272619
N-[4-(aminomethyl)oxan-4-yl]-4-propan-2-ylbenzamide
CID 106297338
1-(aminomethyl)-N-[2,4-di(propan-2-yl)phenyl]cyclopropane-1-carboxamide
CID 115452440
[1-(aminomethyl)-4-methylcyclohexyl]-(4-methoxyphenyl)methanone
CID 116604118
[1-(aminomethyl)-4-methylcyclohexyl]-phenylmethanone
CID 116604093
4-propan-2-ylbenzoic acid;hydrochloride
CID 70157848
copper 4-propan-2-ylbenzoic acid
CID 54605006

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclopropyl]-(4-propan-2-ylphenyl)methanone?
The IUPAC name of [1-(aminomethyl)cyclopropyl]-(4-propan-2-ylphenyl)methanone (CID 116601363) is [1-(aminomethyl)cyclopropyl]-(4-propan-2-ylphenyl)methanone.
What is the SMILES notation for [1-(aminomethyl)cyclopropyl]-(4-propan-2-ylphenyl)methanone?
The canonical SMILES for [1-(aminomethyl)cyclopropyl]-(4-propan-2-ylphenyl)methanone is CC(C)c1ccc(C(=O)C2(CN)CC2)cc1.
What is the InChIKey of [1-(aminomethyl)cyclopropyl]-(4-propan-2-ylphenyl)methanone?
The InChIKey is UWZSVMFZSNIHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-10(2)11-3-5-12(6-4-11)13(16)14(9-15)7-8-14/h3-6,10H,7-9,15H2,1-2H3.
What are the key properties of [1-(aminomethyl)cyclopropyl]-(4-propan-2-ylphenyl)methanone?
[1-(aminomethyl)cyclopropyl]-(4-propan-2-ylphenyl)methanone has a molecular weight of 217.31 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclopropyl]-(4-propan-2-ylphenyl)methanone is sourced from PubChem (CID 116601363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).