N-[2-[(2,6-dichlorophenyl)methyl]-2-methylpentyl]cyclopropanamine

C16H23Cl2N — CID 63509602

IUPACN-[2-[(2,6-dichlorophenyl)methyl]-2-methylpentyl]cyclopropanamine
SMILESCCCC(C)(CNC1CC1)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C16H23Cl2N/c1-3-9-16(2,11-19-12-7-8-12)10-13-14(17)5-4-6-15(13)18/h4-6,12,19H,3,7-11H2,1-2H3
InChIKeyDDEGSNGARRAAGL-UHFFFAOYSA-N
MW300.27 g/mol
LogP5.09
Rot. Bonds7

About N-[2-[(2,6-dichlorophenyl)methyl]-2-methylpentyl]cyclopropanamine

N-[2-[(2,6-dichlorophenyl)methyl]-2-methylpentyl]cyclopropanamine (PubChem CID 63509602) has the molecular formula C16H23Cl2N and a molecular weight of 300.27 g/mol. Its IUPAC name is N-[2-[(2,6-dichlorophenyl)methyl]-2-methylpentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(2,6-dichlorophenyl)methyl]-2-methylpentyl]cyclopropanamine
PubChem CID63509602
Molecular FormulaC16H23Cl2N
Molecular Weight300.27 g/mol
Exact Mass299.12
IUPAC NameN-[2-[(2,6-dichlorophenyl)methyl]-2-methylpentyl]cyclopropanamine
SMILESCCCC(C)(CNC1CC1)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C16H23Cl2N/c1-3-9-16(2,11-19-12-7-8-12)10-13-14(17)5-4-6-15(13)18/h4-6,12,19H,3,7-11H2,1-2H3
InChIKeyDDEGSNGARRAAGL-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-[(2-chlorophenyl)methyl]-2-methylbutyl]cyclopropanamine
CID 62718301
N-[2-methyl-2-(thiophen-2-ylmethyl)pentyl]cyclopropanamine
CID 62724017
N-[2-(1,3-dihydroisoindol-2-ylmethyl)-2-methylpentyl]cyclopropanamine
CID 62256349
N-[2-[(2-chloro-6-fluorophenyl)methyl]-2-methylbut-3-enyl]cyclopropanamine
CID 102641163
N-[2-methyl-2-[(1-methylpyrazol-4-yl)methyl]pentyl]cyclopropanamine
CID 62724831
N-[(2,6-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine
CID 63454775
N-[2-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylpentyl]cyclopropanamine
CID 62723615
N-[2-[(2,3-dichlorophenyl)methyl]-2-ethylbutyl]cyclopropanamine
CID 107309723
N-[2-[2-(3-bromophenoxy)ethyl]-2-methylpentyl]cyclopropanamine
CID 63508914
N,N'-dicyclopropyl-N',2-dimethyl-2-propylpropane-1,3-diamine
CID 62262170
N-cyclopropyl-N'-(3,5-dimethylphenyl)-N',2-dimethyl-2-propylpropane-1,3-diamine
CID 63495021
N-[3-(3-chloro-2-fluorophenyl)-2-cyclopropyl-2-methylpropyl]cyclopropanamine
CID 102859235

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,6-dichlorophenyl)methyl]-2-methylpentyl]cyclopropanamine?
The IUPAC name of N-[2-[(2,6-dichlorophenyl)methyl]-2-methylpentyl]cyclopropanamine (CID 63509602) is N-[2-[(2,6-dichlorophenyl)methyl]-2-methylpentyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(2,6-dichlorophenyl)methyl]-2-methylpentyl]cyclopropanamine?
The canonical SMILES for N-[2-[(2,6-dichlorophenyl)methyl]-2-methylpentyl]cyclopropanamine is CCCC(C)(CNC1CC1)Cc1c(Cl)cccc1Cl.
What is the InChIKey of N-[2-[(2,6-dichlorophenyl)methyl]-2-methylpentyl]cyclopropanamine?
The InChIKey is DDEGSNGARRAAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2N/c1-3-9-16(2,11-19-12-7-8-12)10-13-14(17)5-4-6-15(13)18/h4-6,12,19H,3,7-11H2,1-2H3.
What are the key properties of N-[2-[(2,6-dichlorophenyl)methyl]-2-methylpentyl]cyclopropanamine?
N-[2-[(2,6-dichlorophenyl)methyl]-2-methylpentyl]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-[(2,6-dichlorophenyl)methyl]-2-methylpentyl]cyclopropanamine is sourced from PubChem (CID 63509602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).