N-[1-(4-methylphenyl)ethyl]cyclopropanamine

C12H17N — CID 16771025

IUPACN-[1-(4-methylphenyl)ethyl]cyclopropanamine
SMILESCc1ccc(C(C)NC2CC2)cc1
InChIInChI=1S/C12H17N/c1-9-3-5-11(6-4-9)10(2)13-12-7-8-12/h3-6,10,12-13H,7-8H2,1-2H3
InChIKeyPBCXEJPFVTVEPY-UHFFFAOYSA-N
MW175.27 g/mol
LogP2.81
Rot. Bonds3

About N-[1-(4-methylphenyl)ethyl]cyclopropanamine

N-[1-(4-methylphenyl)ethyl]cyclopropanamine (PubChem CID 16771025) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)ethyl]cyclopropanamine
PubChem CID16771025
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC NameN-[1-(4-methylphenyl)ethyl]cyclopropanamine
SMILESCc1ccc(C(C)NC2CC2)cc1
InChIInChI=1S/C12H17N/c1-9-3-5-11(6-4-9)10(2)13-12-7-8-12/h3-6,10,12-13H,7-8H2,1-2H3
InChIKeyPBCXEJPFVTVEPY-UHFFFAOYSA-N
XLogP2.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1R)-1-(4-methylphenyl)ethyl]-4-propan-2-ylcyclohexan-1-amine
CID 81349637
4-tert-butyl-N-[(1S)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine
CID 81355631
4,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine
CID 81349448
1-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]piperidin-4-amine
CID 81349628
N-[(1R)-1-(4-methylphenyl)ethyl]-1-oxothian-4-amine
CID 81349741
3-ethyl-N-[(1R)-1-(4-methylphenyl)ethyl]cyclopentan-1-amine
CID 81349259
N-[1-(4-methylphenyl)ethyl]-3-propan-2-ylcyclobutan-1-amine
CID 103561638
1-N-[(1R)-1-(4-methylphenyl)ethyl]cyclobutane-1,3-diamine
CID 81349548
N-[(1R)-1-(4-bromophenyl)ethyl]cyclopropanamine
CID 30110346
N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidin-3-amine
CID 81349453
1-methyl-N-[1-(4-methylphenyl)ethyl]pyrrolidin-3-amine
CID 61461431
N-[1-(4-methylphenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 54863084

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)ethyl]cyclopropanamine?
The IUPAC name of N-[1-(4-methylphenyl)ethyl]cyclopropanamine (CID 16771025) is N-[1-(4-methylphenyl)ethyl]cyclopropanamine.
What is the SMILES notation for N-[1-(4-methylphenyl)ethyl]cyclopropanamine?
The canonical SMILES for N-[1-(4-methylphenyl)ethyl]cyclopropanamine is Cc1ccc(C(C)NC2CC2)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)ethyl]cyclopropanamine?
The InChIKey is PBCXEJPFVTVEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-9-3-5-11(6-4-9)10(2)13-12-7-8-12/h3-6,10,12-13H,7-8H2,1-2H3.
What are the key properties of N-[1-(4-methylphenyl)ethyl]cyclopropanamine?
N-[1-(4-methylphenyl)ethyl]cyclopropanamine has a molecular weight of 175.27 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)ethyl]cyclopropanamine is sourced from PubChem (CID 16771025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).