[1-(4-ethyl-3-methylphenyl)cyclopropyl]methanamine

C13H19N — CID 117281667

IUPAC[1-(4-ethyl-3-methylphenyl)cyclopropyl]methanamine
SMILESCCc1ccc(C2(CN)CC2)cc1C
InChIInChI=1S/C13H19N/c1-3-11-4-5-12(8-10(11)2)13(9-14)6-7-13/h4-5,8H,3,6-7,9,14H2,1-2H3
InChIKeyAPDUJTPWIBQVAN-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.55
Rot. Bonds3

About [1-(4-ethyl-3-methylphenyl)cyclopropyl]methanamine

[1-(4-ethyl-3-methylphenyl)cyclopropyl]methanamine (PubChem CID 117281667) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is [1-(4-ethyl-3-methylphenyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(4-ethyl-3-methylphenyl)cyclopropyl]methanamine
PubChem CID117281667
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name[1-(4-ethyl-3-methylphenyl)cyclopropyl]methanamine
SMILESCCc1ccc(C2(CN)CC2)cc1C
InChIInChI=1S/C13H19N/c1-3-11-4-5-12(8-10(11)2)13(9-14)6-7-13/h4-5,8H,3,6-7,9,14H2,1-2H3
InChIKeyAPDUJTPWIBQVAN-UHFFFAOYSA-N
XLogP2.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(3,4-dimethylphenyl)cyclohexyl]methanamine
CID 62899225
[1-(7-methylnaphthalen-2-yl)cyclopropyl]methanamine
CID 105465206
[1-(4-methyl-3-phenylphenyl)cyclopropyl]methanamine
CID 117347743
6-[1-(aminomethyl)cyclopropyl]-3-methyl-1H-quinolin-2-one
CID 116997657
[1-(3,4-dimethylphenyl)cyclopent-3-en-1-yl]methanamine
CID 65353601
[1-[3-chloro-4-(2-methylpropyl)phenyl]cyclopropyl]methanamine
CID 105424377
[1-(3-chloro-4-methylphenyl)cyclohexyl]methanamine
CID 83824553
[1-(4-ethylphenyl)cyclopentyl]methanamine
CID 82491828
[1-(5-ethyl-2-methylphenyl)cyclopropyl]methanamine
CID 117281665
[1-(4-ethoxy-3-methoxyphenyl)cyclopropyl]methanamine
CID 116989217
[1-(3-bromo-4-pentan-3-ylphenyl)cyclopropyl]methanamine
CID 117477395
[1-(2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopropyl]methanamine
CID 117312500

Frequently Asked Questions

What is the IUPAC name of [1-(4-ethyl-3-methylphenyl)cyclopropyl]methanamine?
The IUPAC name of [1-(4-ethyl-3-methylphenyl)cyclopropyl]methanamine (CID 117281667) is [1-(4-ethyl-3-methylphenyl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(4-ethyl-3-methylphenyl)cyclopropyl]methanamine?
The canonical SMILES for [1-(4-ethyl-3-methylphenyl)cyclopropyl]methanamine is CCc1ccc(C2(CN)CC2)cc1C.
What is the InChIKey of [1-(4-ethyl-3-methylphenyl)cyclopropyl]methanamine?
The InChIKey is APDUJTPWIBQVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-3-11-4-5-12(8-10(11)2)13(9-14)6-7-13/h4-5,8H,3,6-7,9,14H2,1-2H3.
What are the key properties of [1-(4-ethyl-3-methylphenyl)cyclopropyl]methanamine?
[1-(4-ethyl-3-methylphenyl)cyclopropyl]methanamine has a molecular weight of 189.30 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-ethyl-3-methylphenyl)cyclopropyl]methanamine is sourced from PubChem (CID 117281667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).