N-[2-[(2-chloro-4-methylphenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine

C17H26ClN — CID 106869645

IUPACN-[2-[(2-chloro-4-methylphenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine
SMILESCc1ccc(CC(C)(CNC2CC2)C(C)C)c(Cl)c1
InChIInChI=1S/C17H26ClN/c1-12(2)17(4,11-19-15-7-8-15)10-14-6-5-13(3)9-16(14)18/h5-6,9,12,15,19H,7-8,10-11H2,1-4H3
InChIKeyQRDMXMGZZYEACT-UHFFFAOYSA-N
MW279.86 g/mol
LogP4.61
Rot. Bonds6

About N-[2-[(2-chloro-4-methylphenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine

N-[2-[(2-chloro-4-methylphenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine (PubChem CID 106869645) has the molecular formula C17H26ClN and a molecular weight of 279.86 g/mol. Its IUPAC name is N-[2-[(2-chloro-4-methylphenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(2-chloro-4-methylphenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine
PubChem CID106869645
Molecular FormulaC17H26ClN
Molecular Weight279.86 g/mol
Exact Mass279.18
IUPAC NameN-[2-[(2-chloro-4-methylphenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine
SMILESCc1ccc(CC(C)(CNC2CC2)C(C)C)c(Cl)c1
InChIInChI=1S/C17H26ClN/c1-12(2)17(4,11-19-15-7-8-15)10-14-6-5-13(3)9-16(14)18/h5-6,9,12,15,19H,7-8,10-11H2,1-4H3
InChIKeyQRDMXMGZZYEACT-UHFFFAOYSA-N
XLogP4.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.86
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-[(3-chloro-2-fluorophenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine
CID 102859251
N-[2-[(5-chloro-2-methoxyphenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine
CID 83151545
N-[2-[(4-chloro-3-fluorophenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine
CID 107897591
N-[2-[(5-chlorothiophen-2-yl)methyl]-2,3-dimethylbutyl]cyclopropanamine
CID 83151192
N-[(2-chloro-4-methylphenyl)methyl]cyclobutanamine
CID 106862588
N-[2-[(3-bromo-5-fluorophenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine
CID 83150975
1-(3-bromo-2-cyclopropyl-2-methylpropyl)-2-chloro-4-methylbenzene
CID 106870728
N-[2,3-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]butyl]cyclopropanamine
CID 83150850
N-[(2-chloro-4-methylphenyl)methyl]-4,4-dimethylcyclohexan-1-amine
CID 106862708
3-(2-chloro-4-methylphenyl)-2-cyclopropyl-2-methylpropanoic acid
CID 106865472
N-[2,3-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]butyl]cyclopropanamine
CID 83150966
N-[2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylbutyl]cyclopropanamine
CID 83151196

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chloro-4-methylphenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine?
The IUPAC name of N-[2-[(2-chloro-4-methylphenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine (CID 106869645) is N-[2-[(2-chloro-4-methylphenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(2-chloro-4-methylphenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine?
The canonical SMILES for N-[2-[(2-chloro-4-methylphenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine is Cc1ccc(CC(C)(CNC2CC2)C(C)C)c(Cl)c1.
What is the InChIKey of N-[2-[(2-chloro-4-methylphenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine?
The InChIKey is QRDMXMGZZYEACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN/c1-12(2)17(4,11-19-15-7-8-15)10-14-6-5-13(3)9-16(14)18/h5-6,9,12,15,19H,7-8,10-11H2,1-4H3.
What are the key properties of N-[2-[(2-chloro-4-methylphenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine?
N-[2-[(2-chloro-4-methylphenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine has a molecular weight of 279.86 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-chloro-4-methylphenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine is sourced from PubChem (CID 106869645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).