1-[3-(3,5-dimethylphenyl)propyl]cyclopropan-1-amine

C14H21N — CID 83908581

IUPAC1-[3-(3,5-dimethylphenyl)propyl]cyclopropan-1-amine
SMILESCc1cc(C)cc(CCCC2(N)CC2)c1
InChIInChI=1S/C14H21N/c1-11-8-12(2)10-13(9-11)4-3-5-14(15)6-7-14/h8-10H,3-7,15H2,1-2H3
InChIKeyDJRZBSYULSJPLK-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.12
Rot. Bonds4

About 1-[3-(3,5-dimethylphenyl)propyl]cyclopropan-1-amine

1-[3-(3,5-dimethylphenyl)propyl]cyclopropan-1-amine (PubChem CID 83908581) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 1-[3-(3,5-dimethylphenyl)propyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[3-(3,5-dimethylphenyl)propyl]cyclopropan-1-amine
PubChem CID83908581
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name1-[3-(3,5-dimethylphenyl)propyl]cyclopropan-1-amine
SMILESCc1cc(C)cc(CCCC2(N)CC2)c1
InChIInChI=1S/C14H21N/c1-11-8-12(2)10-13(9-11)4-3-5-14(15)6-7-14/h8-10H,3-7,15H2,1-2H3
InChIKeyDJRZBSYULSJPLK-UHFFFAOYSA-N
XLogP3.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-(4-methylphenyl)propyl]cyclopropan-1-amine
CID 83907225
1-[5-(3,5-dimethylphenyl)pentyl]-3,5-dimethylbenzene
CID 22920116
1-(3-pyridin-4-ylpropyl)cyclopropan-1-amine
CID 83906157
1-[3-(4-bromophenyl)propyl]cyclopropan-1-amine
CID 83913067
1-[2-(5-methyl-3-pyridinyl)ethyl]cyclopropan-1-amine
CID 105436682
3-(3,5-dimethylphenyl)-N-methylpropan-1-amine
CID 54776136
1-[(3,5-dimethylphenyl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 80693058
1-[3-(1-ethylcyclopropyl)propyl]-3-[3-(1-iodocyclopropyl)propyl]-5-methylbenzene
CID 170105051
1-[2-(3-chloro-2,5-dimethylphenyl)ethyl]cyclopropan-1-amine
CID 105481526
1-[2-(3,4-dimethylphenyl)ethyl]cyclopropan-1-amine
CID 83684647
1-[(3-methylphenyl)methyl]cyclopropan-1-amine
CID 23106077
1-[2-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]ethyl]cyclopropan-1-amine
CID 105483075

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-dimethylphenyl)propyl]cyclopropan-1-amine?
The IUPAC name of 1-[3-(3,5-dimethylphenyl)propyl]cyclopropan-1-amine (CID 83908581) is 1-[3-(3,5-dimethylphenyl)propyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[3-(3,5-dimethylphenyl)propyl]cyclopropan-1-amine?
The canonical SMILES for 1-[3-(3,5-dimethylphenyl)propyl]cyclopropan-1-amine is Cc1cc(C)cc(CCCC2(N)CC2)c1.
What is the InChIKey of 1-[3-(3,5-dimethylphenyl)propyl]cyclopropan-1-amine?
The InChIKey is DJRZBSYULSJPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-11-8-12(2)10-13(9-11)4-3-5-14(15)6-7-14/h8-10H,3-7,15H2,1-2H3.
What are the key properties of 1-[3-(3,5-dimethylphenyl)propyl]cyclopropan-1-amine?
1-[3-(3,5-dimethylphenyl)propyl]cyclopropan-1-amine has a molecular weight of 203.33 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,5-dimethylphenyl)propyl]cyclopropan-1-amine is sourced from PubChem (CID 83908581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).