N-[(2-ethenyl-4-methylphenyl)methyl]cyclopropanamine

C13H17N — CID 107430275

IUPACN-[(2-ethenyl-4-methylphenyl)methyl]cyclopropanamine
SMILESC=Cc1cc(C)ccc1CNC1CC1
InChIInChI=1S/C13H17N/c1-3-11-8-10(2)4-5-12(11)9-14-13-6-7-13/h3-5,8,13-14H,1,6-7,9H2,2H3
InChIKeyQCVHGJIHNDTEMN-UHFFFAOYSA-N
MW187.29 g/mol
LogP2.89
Rot. Bonds4

About N-[(2-ethenyl-4-methylphenyl)methyl]cyclopropanamine

N-[(2-ethenyl-4-methylphenyl)methyl]cyclopropanamine (PubChem CID 107430275) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is N-[(2-ethenyl-4-methylphenyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2-ethenyl-4-methylphenyl)methyl]cyclopropanamine
PubChem CID107430275
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC NameN-[(2-ethenyl-4-methylphenyl)methyl]cyclopropanamine
SMILESC=Cc1cc(C)ccc1CNC1CC1
InChIInChI=1S/C13H17N/c1-3-11-8-10(2)4-5-12(11)9-14-13-6-7-13/h3-5,8,13-14H,1,6-7,9H2,2H3
InChIKeyQCVHGJIHNDTEMN-UHFFFAOYSA-N
XLogP2.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-chloro-4-methylphenyl)methyl]cyclobutanamine
CID 106862588
N-[[2-(3,5-dichlorophenyl)-4-methylphenyl]methyl]cyclopropanamine
CID 114879196
N-[(2-chloro-4-methylphenyl)methyl]-4,4-dimethylcyclohexan-1-amine
CID 106862708
N-[[4-(2,4-dimethylphenyl)sulfanyl-2-methylphenyl]methyl]cyclopropanamine
CID 63804914
N-[[5-methyl-2-(3-methylbutan-2-ylsulfanyl)phenyl]methyl]cyclopropanamine
CID 114055458
N-[(2-fluoro-5-methylphenyl)methyl]cyclopent-3-en-1-amine
CID 115696342
N-[(2-but-2-enoxy-5-methylphenyl)methyl]cyclopropanamine
CID 77011503
N-[(2-fluoro-4-methylphenyl)methyl]-1-methylpiperidin-4-amine
CID 70653063
2-[(cyclobutylamino)methyl]-5-methylbenzoic acid
CID 117220813
N-[(5-methyl-2-propoxyphenyl)methyl]cyclopropanamine
CID 63326809
N-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine
CID 79485255
N-[[4-chloro-2-(2-chloro-4-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 114857170

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethenyl-4-methylphenyl)methyl]cyclopropanamine?
The IUPAC name of N-[(2-ethenyl-4-methylphenyl)methyl]cyclopropanamine (CID 107430275) is N-[(2-ethenyl-4-methylphenyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(2-ethenyl-4-methylphenyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(2-ethenyl-4-methylphenyl)methyl]cyclopropanamine is C=Cc1cc(C)ccc1CNC1CC1.
What is the InChIKey of N-[(2-ethenyl-4-methylphenyl)methyl]cyclopropanamine?
The InChIKey is QCVHGJIHNDTEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-3-11-8-10(2)4-5-12(11)9-14-13-6-7-13/h3-5,8,13-14H,1,6-7,9H2,2H3.
What are the key properties of N-[(2-ethenyl-4-methylphenyl)methyl]cyclopropanamine?
N-[(2-ethenyl-4-methylphenyl)methyl]cyclopropanamine has a molecular weight of 187.29 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethenyl-4-methylphenyl)methyl]cyclopropanamine is sourced from PubChem (CID 107430275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).