N-[2-(2-methylphenyl)butyl]cyclopropanamine

C14H21N — CID 79421511

IUPACN-[2-(2-methylphenyl)butyl]cyclopropanamine
SMILESCCC(CNC1CC1)c1ccccc1C
InChIInChI=1S/C14H21N/c1-3-12(10-15-13-8-9-13)14-7-5-4-6-11(14)2/h4-7,12-13,15H,3,8-10H2,1-2H3
InChIKeyYLVNMOQSADTLQE-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.24
Rot. Bonds5

About N-[2-(2-methylphenyl)butyl]cyclopropanamine

N-[2-(2-methylphenyl)butyl]cyclopropanamine (PubChem CID 79421511) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is N-[2-(2-methylphenyl)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(2-methylphenyl)butyl]cyclopropanamine
PubChem CID79421511
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC NameN-[2-(2-methylphenyl)butyl]cyclopropanamine
SMILESCCC(CNC1CC1)c1ccccc1C
InChIInChI=1S/C14H21N/c1-3-12(10-15-13-8-9-13)14-7-5-4-6-11(14)2/h4-7,12-13,15H,3,8-10H2,1-2H3
InChIKeyYLVNMOQSADTLQE-UHFFFAOYSA-N
XLogP3.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(3-methylbutoxy)-2-(2-methylphenyl)butyl]cyclopropanamine
CID 79424178
N-[2-methyl-3-(2-methylphenyl)butyl]cyclopropanamine
CID 81015304
N-(2-phenylbutyl)cyclopentanamine
CID 60664890
N,N-dimethyl-1-(2-methylphenyl)-N'-(thian-4-yl)ethane-1,2-diamine
CID 50981193
N-[2-(2-methylphenyl)-2-(2-methylpropoxy)ethyl]cyclopropanamine
CID 62105981
2-[(3-methylcyclopentyl)amino]-1-(2-methylphenyl)ethanol
CID 111466776
3-(cyclopentylamino)-2-(2-methylphenyl)propanoic acid
CID 117244178
N-[2-(2-methylphenyl)-2-(3,3,3-trifluoropropoxy)ethyl]cyclopropanamine
CID 82957812
N-[2-(4-fluorophenyl)-3-(2-methylphenyl)propyl]cyclopropanamine
CID 79431035
1-N-cyclopropyl-2-N-(2-phenylbutyl)propane-1,2-diamine
CID 113407445
N-[2-(2-methylphenyl)-2-(4,4,4-trifluorobutoxy)ethyl]cyclopropanamine
CID 82783287
N-[2-(2-chlorophenyl)-4-ethylsulfonylbutyl]cyclopropanamine
CID 79449139

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylphenyl)butyl]cyclopropanamine?
The IUPAC name of N-[2-(2-methylphenyl)butyl]cyclopropanamine (CID 79421511) is N-[2-(2-methylphenyl)butyl]cyclopropanamine.
What is the SMILES notation for N-[2-(2-methylphenyl)butyl]cyclopropanamine?
The canonical SMILES for N-[2-(2-methylphenyl)butyl]cyclopropanamine is CCC(CNC1CC1)c1ccccc1C.
What is the InChIKey of N-[2-(2-methylphenyl)butyl]cyclopropanamine?
The InChIKey is YLVNMOQSADTLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-3-12(10-15-13-8-9-13)14-7-5-4-6-11(14)2/h4-7,12-13,15H,3,8-10H2,1-2H3.
What are the key properties of N-[2-(2-methylphenyl)butyl]cyclopropanamine?
N-[2-(2-methylphenyl)butyl]cyclopropanamine has a molecular weight of 203.33 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylphenyl)butyl]cyclopropanamine is sourced from PubChem (CID 79421511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).