N-[2-[(2-chlorophenyl)methyl]-2-methylbutyl]cyclopropanamine

C15H22ClN — CID 62718301

IUPACN-[2-[(2-chlorophenyl)methyl]-2-methylbutyl]cyclopropanamine
SMILESCCC(C)(CNC1CC1)Cc1ccccc1Cl
InChIInChI=1S/C15H22ClN/c1-3-15(2,11-17-13-8-9-13)10-12-6-4-5-7-14(12)16/h4-7,13,17H,3,8-11H2,1-2H3
InChIKeyTVGIVKJMGNLWOE-UHFFFAOYSA-N
MW251.80 g/mol
LogP4.05
Rot. Bonds6

About N-[2-[(2-chlorophenyl)methyl]-2-methylbutyl]cyclopropanamine

N-[2-[(2-chlorophenyl)methyl]-2-methylbutyl]cyclopropanamine (PubChem CID 62718301) has the molecular formula C15H22ClN and a molecular weight of 251.80 g/mol. Its IUPAC name is N-[2-[(2-chlorophenyl)methyl]-2-methylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(2-chlorophenyl)methyl]-2-methylbutyl]cyclopropanamine
PubChem CID62718301
Molecular FormulaC15H22ClN
Molecular Weight251.80 g/mol
Exact Mass251.14
IUPAC NameN-[2-[(2-chlorophenyl)methyl]-2-methylbutyl]cyclopropanamine
SMILESCCC(C)(CNC1CC1)Cc1ccccc1Cl
InChIInChI=1S/C15H22ClN/c1-3-15(2,11-17-13-8-9-13)10-12-6-4-5-7-14(12)16/h4-7,13,17H,3,8-11H2,1-2H3
InChIKeyTVGIVKJMGNLWOE-UHFFFAOYSA-N
XLogP4.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.80
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-methyl-2-(naphthalen-1-ylmethyl)butyl]cyclopropanamine
CID 63509358
2-[(2-chlorophenyl)methyl]-2-methyl-N-propylbutan-1-amine
CID 63509342
N-[2-[(2,6-dichlorophenyl)methyl]-2-methylpentyl]cyclopropanamine
CID 63509602
N-[2-[(2,3-dichlorophenyl)methyl]-2-ethylbutyl]cyclopropanamine
CID 107309723
N-[2-[(2,5-difluorophenyl)methyl]-2-methylbutyl]cyclopropanamine
CID 62717985
2-[(2-chlorophenyl)methyl]-2-methylbutan-1-ol
CID 66060666
N-[2-[(5-ethylthiophen-2-yl)methyl]-2-methylbutyl]cyclopropanamine
CID 62718626
N-[3-(3-chloro-2-fluorophenyl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine
CID 102859235
N-[2-methyl-2-(phenylmethoxymethyl)butyl]cyclopropanamine
CID 102940521
1-[3-bromo-2-(bromomethyl)-2-methylpropyl]-2-chlorobenzene
CID 79452940
N-[2-[(3-chloro-2-fluorophenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine
CID 102859251
N-[2-[(3-bromothiophen-2-yl)methyl]-2-methylbutyl]cyclopropanamine
CID 62717986

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chlorophenyl)methyl]-2-methylbutyl]cyclopropanamine?
The IUPAC name of N-[2-[(2-chlorophenyl)methyl]-2-methylbutyl]cyclopropanamine (CID 62718301) is N-[2-[(2-chlorophenyl)methyl]-2-methylbutyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(2-chlorophenyl)methyl]-2-methylbutyl]cyclopropanamine?
The canonical SMILES for N-[2-[(2-chlorophenyl)methyl]-2-methylbutyl]cyclopropanamine is CCC(C)(CNC1CC1)Cc1ccccc1Cl.
What is the InChIKey of N-[2-[(2-chlorophenyl)methyl]-2-methylbutyl]cyclopropanamine?
The InChIKey is TVGIVKJMGNLWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN/c1-3-15(2,11-17-13-8-9-13)10-12-6-4-5-7-14(12)16/h4-7,13,17H,3,8-11H2,1-2H3.
What are the key properties of N-[2-[(2-chlorophenyl)methyl]-2-methylbutyl]cyclopropanamine?
N-[2-[(2-chlorophenyl)methyl]-2-methylbutyl]cyclopropanamine has a molecular weight of 251.80 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-chlorophenyl)methyl]-2-methylbutyl]cyclopropanamine is sourced from PubChem (CID 62718301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).