[1-[2-(2-methylphenyl)ethyl]cyclopropyl]methanamine

C13H19N — CID 82404323

IUPAC[1-[2-(2-methylphenyl)ethyl]cyclopropyl]methanamine
SMILESCc1ccccc1CCC1(CN)CC1
InChIInChI=1S/C13H19N/c1-11-4-2-3-5-12(11)6-7-13(10-14)8-9-13/h2-5H,6-10,14H2,1H3
InChIKeyVVXLRYQNPHCTCD-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.67
Rot. Bonds4

About [1-[2-(2-methylphenyl)ethyl]cyclopropyl]methanamine

[1-[2-(2-methylphenyl)ethyl]cyclopropyl]methanamine (PubChem CID 82404323) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is [1-[2-(2-methylphenyl)ethyl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-[2-(2-methylphenyl)ethyl]cyclopropyl]methanamine
PubChem CID82404323
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name[1-[2-(2-methylphenyl)ethyl]cyclopropyl]methanamine
SMILESCc1ccccc1CCC1(CN)CC1
InChIInChI=1S/C13H19N/c1-11-4-2-3-5-12(11)6-7-13(10-14)8-9-13/h2-5H,6-10,14H2,1H3
InChIKeyVVXLRYQNPHCTCD-UHFFFAOYSA-N
XLogP2.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(2-methylphenyl)methanamine
CID 115244158
[4,4-dimethyl-1-[(2-methylphenyl)methyl]cyclohexyl]methanamine
CID 65390377
1-[2-(2-methylphenyl)ethyl]cyclopentan-1-amine
CID 115074223
N-[[1-(aminomethyl)cyclopropyl]methyl]-4-(2-methylphenyl)butanamide
CID 115271407
ethane;2-(2-methylphenyl)ethanamine
CID 91237349
[1-[2-(2-nitrophenyl)ethyl]cyclopentyl]methanamine
CID 65394636
1-methyl-2-[18-(2-methylphenyl)octadecyl]benzene
CID 22919877
N-[[1-(aminomethyl)cyclopropyl]methyl]-N,2-dimethylbenzenesulfonamide
CID 115267734
CID 57429570
CID 57429570
CID 140700178
CID 140700178
[4-(aminomethyl)-1-(2-methylphenyl)piperidin-4-yl]methanamine
CID 117007839
[4-(2-phenylethyl)oxan-4-yl]methanamine
CID 83822239

Frequently Asked Questions

What is the IUPAC name of [1-[2-(2-methylphenyl)ethyl]cyclopropyl]methanamine?
The IUPAC name of [1-[2-(2-methylphenyl)ethyl]cyclopropyl]methanamine (CID 82404323) is [1-[2-(2-methylphenyl)ethyl]cyclopropyl]methanamine.
What is the SMILES notation for [1-[2-(2-methylphenyl)ethyl]cyclopropyl]methanamine?
The canonical SMILES for [1-[2-(2-methylphenyl)ethyl]cyclopropyl]methanamine is Cc1ccccc1CCC1(CN)CC1.
What is the InChIKey of [1-[2-(2-methylphenyl)ethyl]cyclopropyl]methanamine?
The InChIKey is VVXLRYQNPHCTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-11-4-2-3-5-12(11)6-7-13(10-14)8-9-13/h2-5H,6-10,14H2,1H3.
What are the key properties of [1-[2-(2-methylphenyl)ethyl]cyclopropyl]methanamine?
[1-[2-(2-methylphenyl)ethyl]cyclopropyl]methanamine has a molecular weight of 189.30 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2-methylphenyl)ethyl]cyclopropyl]methanamine is sourced from PubChem (CID 82404323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).