[1-(3,4-dichlorophenyl)cyclohexyl]methanamine

C13H17Cl2N — CID 43164282

IUPAC[1-(3,4-dichlorophenyl)cyclohexyl]methanamine
SMILESNCC1(c2ccc(Cl)c(Cl)c2)CCCCC1
InChIInChI=1S/C13H17Cl2N/c14-11-5-4-10(8-12(11)15)13(9-16)6-2-1-3-7-13/h4-5,8H,1-3,6-7,9,16H2
InChIKeyJTOBXLVKTKGLSL-UHFFFAOYSA-N
MW258.19 g/mol
LogP4.15
Rot. Bonds2

About [1-(3,4-dichlorophenyl)cyclohexyl]methanamine

[1-(3,4-dichlorophenyl)cyclohexyl]methanamine (PubChem CID 43164282) has the molecular formula C13H17Cl2N and a molecular weight of 258.19 g/mol. Its IUPAC name is [1-(3,4-dichlorophenyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(3,4-dichlorophenyl)cyclohexyl]methanamine
PubChem CID43164282
Molecular FormulaC13H17Cl2N
Molecular Weight258.19 g/mol
Exact Mass257.07
IUPAC Name[1-(3,4-dichlorophenyl)cyclohexyl]methanamine
SMILESNCC1(c2ccc(Cl)c(Cl)c2)CCCCC1
InChIInChI=1S/C13H17Cl2N/c14-11-5-4-10(8-12(11)15)13(9-16)6-2-1-3-7-13/h4-5,8H,1-3,6-7,9,16H2
InChIKeyJTOBXLVKTKGLSL-UHFFFAOYSA-N
XLogP4.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.19
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Benzenemethanamine, 3,4-dichloro-
CID 1608
3,4-Dichlorophenethylamine
CID 217958
(RS/SR)-2-[1-(3,4-dichlorophenyl)butyl]piperidine
CID 16102764
2-(2,3-Dichlorophenyl)ethanamine
CID 2734758
Cis-2-((2S,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine
CID 24857759
1-(1-(3,4-Dichlorophenyl)cyclohexyl)-3-methylbutan-1-amine
CID 24860903
N-((1-(3,4-dichlorophenyl)cyclohexyl)methyl)-N-methylethanamine
CID 53317143
n-((1-(3,4-Dichlorophenyl)cyclohexyl)methyl)-n-ethylethanamine
CID 53318434
trans-((2R,4S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 53320779
1-(1-(3,4-dichlorophenyl)cyclohexyl)-N,N-dimethylmethanamine
CID 53321058
3,4-Dichloro-alpha-methylbenzeneethanamine
CID 17535
[1-(4-Chlorophenyl)cyclohexyl]methanamine
CID 12335824

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dichlorophenyl)cyclohexyl]methanamine?
The IUPAC name of [1-(3,4-dichlorophenyl)cyclohexyl]methanamine (CID 43164282) is [1-(3,4-dichlorophenyl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(3,4-dichlorophenyl)cyclohexyl]methanamine?
The canonical SMILES for [1-(3,4-dichlorophenyl)cyclohexyl]methanamine is NCC1(c2ccc(Cl)c(Cl)c2)CCCCC1.
What is the InChIKey of [1-(3,4-dichlorophenyl)cyclohexyl]methanamine?
The InChIKey is JTOBXLVKTKGLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N/c14-11-5-4-10(8-12(11)15)13(9-16)6-2-1-3-7-13/h4-5,8H,1-3,6-7,9,16H2.
What are the key properties of [1-(3,4-dichlorophenyl)cyclohexyl]methanamine?
[1-(3,4-dichlorophenyl)cyclohexyl]methanamine has a molecular weight of 258.19 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dichlorophenyl)cyclohexyl]methanamine is sourced from PubChem (CID 43164282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).