N-[2-[(2,3-dichlorophenyl)methyl]-2-ethylbutyl]cyclopropanamine

C16H23Cl2N — CID 107309723

IUPACN-[2-[(2,3-dichlorophenyl)methyl]-2-ethylbutyl]cyclopropanamine
SMILESCCC(CC)(CNC1CC1)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C16H23Cl2N/c1-3-16(4-2,11-19-13-8-9-13)10-12-6-5-7-14(17)15(12)18/h5-7,13,19H,3-4,8-11H2,1-2H3
InChIKeyDIQUCWWTCKMHGP-UHFFFAOYSA-N
MW300.27 g/mol
LogP5.09
Rot. Bonds7

About N-[2-[(2,3-dichlorophenyl)methyl]-2-ethylbutyl]cyclopropanamine

N-[2-[(2,3-dichlorophenyl)methyl]-2-ethylbutyl]cyclopropanamine (PubChem CID 107309723) has the molecular formula C16H23Cl2N and a molecular weight of 300.27 g/mol. Its IUPAC name is N-[2-[(2,3-dichlorophenyl)methyl]-2-ethylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(2,3-dichlorophenyl)methyl]-2-ethylbutyl]cyclopropanamine
PubChem CID107309723
Molecular FormulaC16H23Cl2N
Molecular Weight300.27 g/mol
Exact Mass299.12
IUPAC NameN-[2-[(2,3-dichlorophenyl)methyl]-2-ethylbutyl]cyclopropanamine
SMILESCCC(CC)(CNC1CC1)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C16H23Cl2N/c1-3-16(4-2,11-19-13-8-9-13)10-12-6-5-7-14(17)15(12)18/h5-7,13,19H,3-4,8-11H2,1-2H3
InChIKeyDIQUCWWTCKMHGP-UHFFFAOYSA-N
XLogP5.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.27
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-ethyl-2-(naphthalen-1-ylmethyl)butyl]cyclopropanamine
CID 63509675
N-[2-[(2-chlorophenyl)methyl]-2-methylbutyl]cyclopropanamine
CID 62718301
N-[(2,3-dichlorophenyl)methyl]cyclopropanamine;hydrochloride
CID 46835187
N-[2-ethyl-2-(thiophen-2-ylmethyl)butyl]cyclopropanamine
CID 62723656
N-[3-(3-chloro-2-fluorophenyl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine
CID 102859235
N-[(2,3-dichlorophenyl)methyl]-3-methylcyclobutan-1-amine
CID 115671641
1-[2,2-bis(chloromethyl)pentyl]-2,3-dichlorobenzene
CID 107310887
N-[2-ethyl-2-[(2-methoxyphenyl)methyl]hexyl]cyclopropanamine
CID 63509306
N-[2-[(2,6-dichlorophenyl)methyl]-2-methylpentyl]cyclopropanamine
CID 63509602
N-[2-[(3-chloro-2-fluorophenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine
CID 102859251
N-[(2,3-dichlorophenyl)methyl]oxan-4-amine
CID 43609707
N-[2-methyl-2-(naphthalen-1-ylmethyl)butyl]cyclopropanamine
CID 63509358

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,3-dichlorophenyl)methyl]-2-ethylbutyl]cyclopropanamine?
The IUPAC name of N-[2-[(2,3-dichlorophenyl)methyl]-2-ethylbutyl]cyclopropanamine (CID 107309723) is N-[2-[(2,3-dichlorophenyl)methyl]-2-ethylbutyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(2,3-dichlorophenyl)methyl]-2-ethylbutyl]cyclopropanamine?
The canonical SMILES for N-[2-[(2,3-dichlorophenyl)methyl]-2-ethylbutyl]cyclopropanamine is CCC(CC)(CNC1CC1)Cc1cccc(Cl)c1Cl.
What is the InChIKey of N-[2-[(2,3-dichlorophenyl)methyl]-2-ethylbutyl]cyclopropanamine?
The InChIKey is DIQUCWWTCKMHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2N/c1-3-16(4-2,11-19-13-8-9-13)10-12-6-5-7-14(17)15(12)18/h5-7,13,19H,3-4,8-11H2,1-2H3.
What are the key properties of N-[2-[(2,3-dichlorophenyl)methyl]-2-ethylbutyl]cyclopropanamine?
N-[2-[(2,3-dichlorophenyl)methyl]-2-ethylbutyl]cyclopropanamine has a molecular weight of 300.27 g/mol, XLogP of 5.09, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,3-dichlorophenyl)methyl]-2-ethylbutyl]cyclopropanamine is sourced from PubChem (CID 107309723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).