1-[4-(1-methylcyclopropyl)phenyl]cyclopropan-1-amine

C13H17N — CID 118201166

IUPAC1-[4-(1-methylcyclopropyl)phenyl]cyclopropan-1-amine
SMILESCC1(c2ccc(C3(N)CC3)cc2)CC1
InChIInChI=1S/C13H17N/c1-12(6-7-12)10-2-4-11(5-3-10)13(14)8-9-13/h2-5H,6-9,14H2,1H3
InChIKeyMDJWCHYBAFFUHH-UHFFFAOYSA-N
MW187.29 g/mol
LogP2.69
Rot. Bonds2

About 1-[4-(1-methylcyclopropyl)phenyl]cyclopropan-1-amine

1-[4-(1-methylcyclopropyl)phenyl]cyclopropan-1-amine (PubChem CID 118201166) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 1-[4-(1-methylcyclopropyl)phenyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[4-(1-methylcyclopropyl)phenyl]cyclopropan-1-amine
PubChem CID118201166
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name1-[4-(1-methylcyclopropyl)phenyl]cyclopropan-1-amine
SMILESCC1(c2ccc(C3(N)CC3)cc2)CC1
InChIInChI=1S/C13H17N/c1-12(6-7-12)10-2-4-11(5-3-10)13(14)8-9-13/h2-5H,6-9,14H2,1H3
InChIKeyMDJWCHYBAFFUHH-UHFFFAOYSA-N
XLogP2.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(1-methoxycyclopropyl)phenyl]cyclopropan-1-amine
CID 117112388
4-(1-aminocyclopropyl)-N-methylaniline
CID 55297105
1-(4-iodophenyl)cyclopropan-1-amine;hydrochloride
CID 117047042
(1S)-1-[4-(1-methylcyclopropyl)phenyl]ethanamine
CID 89490013
1-[4-(1-methylcyclopropyl)phenyl]ethanamine
CID 117047647
ethane;1-[4-(trifluoromethyl)phenyl]cyclopropan-1-amine
CID 145295879
1-(4-propylphenyl)cyclopropan-1-amine
CID 82280519
1-[4-(aminomethyl)phenyl]cyclopropan-1-amine
CID 55270414
1-methyl-4-(1,4,4-trimethylcyclohexyl)benzene
CID 140825666
1-[4-(1-prop-1-en-2-ylcyclopropyl)phenyl]cyclopropan-1-amine
CID 144873831
4-(1-aminocyclopropyl)-N,N-diethylaniline
CID 82609357
1-(4-methylphenyl)cyclopentan-1-amine;hydrochloride
CID 45380293

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-methylcyclopropyl)phenyl]cyclopropan-1-amine?
The IUPAC name of 1-[4-(1-methylcyclopropyl)phenyl]cyclopropan-1-amine (CID 118201166) is 1-[4-(1-methylcyclopropyl)phenyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[4-(1-methylcyclopropyl)phenyl]cyclopropan-1-amine?
The canonical SMILES for 1-[4-(1-methylcyclopropyl)phenyl]cyclopropan-1-amine is CC1(c2ccc(C3(N)CC3)cc2)CC1.
What is the InChIKey of 1-[4-(1-methylcyclopropyl)phenyl]cyclopropan-1-amine?
The InChIKey is MDJWCHYBAFFUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-12(6-7-12)10-2-4-11(5-3-10)13(14)8-9-13/h2-5H,6-9,14H2,1H3.
What are the key properties of 1-[4-(1-methylcyclopropyl)phenyl]cyclopropan-1-amine?
1-[4-(1-methylcyclopropyl)phenyl]cyclopropan-1-amine has a molecular weight of 187.29 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-methylcyclopropyl)phenyl]cyclopropan-1-amine is sourced from PubChem (CID 118201166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).