N-[2-methyl-3-(2-methylphenyl)butyl]cyclopropanamine

C15H23N — CID 81015304

IUPACN-[2-methyl-3-(2-methylphenyl)butyl]cyclopropanamine
SMILESCc1ccccc1C(C)C(C)CNC1CC1
InChIInChI=1S/C15H23N/c1-11-6-4-5-7-15(11)13(3)12(2)10-16-14-8-9-14/h4-7,12-14,16H,8-10H2,1-3H3
InChIKeyXIOFQMJYBIMJMF-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.49
Rot. Bonds5

About N-[2-methyl-3-(2-methylphenyl)butyl]cyclopropanamine

N-[2-methyl-3-(2-methylphenyl)butyl]cyclopropanamine (PubChem CID 81015304) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is N-[2-methyl-3-(2-methylphenyl)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-methyl-3-(2-methylphenyl)butyl]cyclopropanamine
PubChem CID81015304
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC NameN-[2-methyl-3-(2-methylphenyl)butyl]cyclopropanamine
SMILESCc1ccccc1C(C)C(C)CNC1CC1
InChIInChI=1S/C15H23N/c1-11-6-4-5-7-15(11)13(3)12(2)10-16-14-8-9-14/h4-7,12-14,16H,8-10H2,1-3H3
InChIKeyXIOFQMJYBIMJMF-UHFFFAOYSA-N
XLogP3.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[3-(2,3-difluoro-4-methylphenyl)-2-methylbutyl]cyclopropanamine
CID 107514728
N-[2-(2-methylphenyl)butyl]cyclopropanamine
CID 79421511
N-[3-(2,3-dichlorophenyl)-2-methylbutyl]cyclopropanamine
CID 81015081
N-[2-(2-methylphenyl)-2-(2-methylpropoxy)ethyl]cyclopropanamine
CID 62105981
N-[4-(3-methylbutoxy)-2-(2-methylphenyl)butyl]cyclopropanamine
CID 79424178
1-methyl-2-(3-methylpentan-2-yl)benzene
CID 23555669
N-[3-(2,6-difluoro-3-methylphenyl)-2-methylbutyl]cyclopropanamine
CID 82827852
N,N-dimethyl-1-(2-methylphenyl)-N'-(thian-4-yl)ethane-1,2-diamine
CID 50981193
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-[3-(4-ethylphenyl)-2-methylbutyl]cyclopropanamine
CID 81015305

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-(2-methylphenyl)butyl]cyclopropanamine?
The IUPAC name of N-[2-methyl-3-(2-methylphenyl)butyl]cyclopropanamine (CID 81015304) is N-[2-methyl-3-(2-methylphenyl)butyl]cyclopropanamine.
What is the SMILES notation for N-[2-methyl-3-(2-methylphenyl)butyl]cyclopropanamine?
The canonical SMILES for N-[2-methyl-3-(2-methylphenyl)butyl]cyclopropanamine is Cc1ccccc1C(C)C(C)CNC1CC1.
What is the InChIKey of N-[2-methyl-3-(2-methylphenyl)butyl]cyclopropanamine?
The InChIKey is XIOFQMJYBIMJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-11-6-4-5-7-15(11)13(3)12(2)10-16-14-8-9-14/h4-7,12-14,16H,8-10H2,1-3H3.
What are the key properties of N-[2-methyl-3-(2-methylphenyl)butyl]cyclopropanamine?
N-[2-methyl-3-(2-methylphenyl)butyl]cyclopropanamine has a molecular weight of 217.36 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-(2-methylphenyl)butyl]cyclopropanamine is sourced from PubChem (CID 81015304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).