1-(3-propan-2-ylphenyl)cyclopropan-1-amine

C12H17N — CID 55268959

IUPAC1-(3-propan-2-ylphenyl)cyclopropan-1-amine
SMILESCC(C)c1cccc(C2(N)CC2)c1
InChIInChI=1S/C12H17N/c1-9(2)10-4-3-5-11(8-10)12(13)6-7-12/h3-5,8-9H,6-7,13H2,1-2H3
InChIKeyALEZWDWARSRIRW-UHFFFAOYSA-N
MW175.27 g/mol
LogP2.76
Rot. Bonds2

About 1-(3-propan-2-ylphenyl)cyclopropan-1-amine

1-(3-propan-2-ylphenyl)cyclopropan-1-amine (PubChem CID 55268959) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is 1-(3-propan-2-ylphenyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(3-propan-2-ylphenyl)cyclopropan-1-amine
PubChem CID55268959
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name1-(3-propan-2-ylphenyl)cyclopropan-1-amine
SMILESCC(C)c1cccc(C2(N)CC2)c1
InChIInChI=1S/C12H17N/c1-9(2)10-4-3-5-11(8-10)12(13)6-7-12/h3-5,8-9H,6-7,13H2,1-2H3
InChIKeyALEZWDWARSRIRW-UHFFFAOYSA-N
XLogP2.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-propan-2-ylphenyl)cyclobutan-1-amine
CID 82603155
1-[3-(1-methoxyethyl)phenyl]cyclopropan-1-amine
CID 117112372
2-[3-(1-aminocyclopropyl)phenyl]propan-1-ol
CID 115018663
1-[3-(dimethoxymethyl)phenyl]cyclopropan-1-amine
CID 84779678
1-(3-propan-2-ylphenyl)cyclobutan-1-ol
CID 170997587
2-[3-(1-aminocyclopropyl)phenyl]-1-piperidin-1-ylpropan-1-one
CID 115055836
1-(3-chloro-5-propan-2-ylphenyl)cyclopropan-1-amine
CID 84781100
1-[1-(2-fluoropropan-2-yl)cyclopropyl]-3-propan-2-ylbenzene
CID 146290347
3-(1-aminocyclopropyl)phenol
CID 55296554
1-(3-bromophenyl)cyclopropan-1-amine
CID 11127564
4,4-dimethyl-1-[3-(2-methylpropyl)phenyl]cyclohexan-1-amine
CID 116543004
1-(3-fluorophenyl)cyclopropan-1-amine;hydrochloride
CID 53256538

Frequently Asked Questions

What is the IUPAC name of 1-(3-propan-2-ylphenyl)cyclopropan-1-amine?
The IUPAC name of 1-(3-propan-2-ylphenyl)cyclopropan-1-amine (CID 55268959) is 1-(3-propan-2-ylphenyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(3-propan-2-ylphenyl)cyclopropan-1-amine?
The canonical SMILES for 1-(3-propan-2-ylphenyl)cyclopropan-1-amine is CC(C)c1cccc(C2(N)CC2)c1.
What is the InChIKey of 1-(3-propan-2-ylphenyl)cyclopropan-1-amine?
The InChIKey is ALEZWDWARSRIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-9(2)10-4-3-5-11(8-10)12(13)6-7-12/h3-5,8-9H,6-7,13H2,1-2H3.
What are the key properties of 1-(3-propan-2-ylphenyl)cyclopropan-1-amine?
1-(3-propan-2-ylphenyl)cyclopropan-1-amine has a molecular weight of 175.27 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propan-2-ylphenyl)cyclopropan-1-amine is sourced from PubChem (CID 55268959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).