N-[[2-(3,4-dichlorophenyl)cyclohexyl]methyl]propan-2-amine

C16H23Cl2N — CID 81024326

IUPACN-[[2-(3,4-dichlorophenyl)cyclohexyl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCCC1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H23Cl2N/c1-11(2)19-10-13-5-3-4-6-14(13)12-7-8-15(17)16(18)9-12/h7-9,11,13-14,19H,3-6,10H2,1-2H3
InChIKeyCRHJOAGTXJCZOF-UHFFFAOYSA-N
MW300.27 g/mol
LogP5.27
Rot. Bonds4

About N-[[2-(3,4-dichlorophenyl)cyclohexyl]methyl]propan-2-amine

N-[[2-(3,4-dichlorophenyl)cyclohexyl]methyl]propan-2-amine (PubChem CID 81024326) has the molecular formula C16H23Cl2N and a molecular weight of 300.27 g/mol. Its IUPAC name is N-[[2-(3,4-dichlorophenyl)cyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(3,4-dichlorophenyl)cyclohexyl]methyl]propan-2-amine
PubChem CID81024326
Molecular FormulaC16H23Cl2N
Molecular Weight300.27 g/mol
Exact Mass299.12
IUPAC NameN-[[2-(3,4-dichlorophenyl)cyclohexyl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCCC1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H23Cl2N/c1-11(2)19-10-13-5-3-4-6-14(13)12-7-8-15(17)16(18)9-12/h7-9,11,13-14,19H,3-6,10H2,1-2H3
InChIKeyCRHJOAGTXJCZOF-UHFFFAOYSA-N
XLogP5.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.27
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-(2,5-dichlorophenyl)cyclohexyl]methyl]propan-2-amine
CID 81024095
N-[[2-(2,5-dichlorophenyl)cycloheptyl]methyl]propan-2-amine
CID 81025808
N-[[2-(4-cyclobutylphenyl)cyclohexyl]methyl]propan-2-amine
CID 116507110
[2-(3,4-dichlorophenyl)cyclopentyl]methanamine
CID 81010012
N-[(2-pyridin-3-ylcyclohexyl)methyl]propan-2-amine
CID 81027798
N-[[2-(5-methylthiophen-3-yl)cyclohexyl]methyl]propan-2-amine
CID 81026774
N-[[2-(4-propoxyphenyl)cyclohexyl]methyl]propan-2-amine
CID 81028785
N-[[2-(4-ethoxyphenyl)cyclopentyl]methyl]propan-2-amine
CID 81034049
N-[[2-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]propan-2-amine
CID 81033561
2-(3,4-dichlorophenyl)-N-ethylcycloheptan-1-amine
CID 55197274
N-[[2-(4-bromo-3-chloro-2-fluorophenyl)cyclohexyl]methyl]propan-2-amine
CID 106763841
N-[[2-(5-fluoro-3-pyridinyl)cyclopentyl]methyl]propan-2-amine
CID 81034048

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,4-dichlorophenyl)cyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(3,4-dichlorophenyl)cyclohexyl]methyl]propan-2-amine (CID 81024326) is N-[[2-(3,4-dichlorophenyl)cyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(3,4-dichlorophenyl)cyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(3,4-dichlorophenyl)cyclohexyl]methyl]propan-2-amine is CC(C)NCC1CCCCC1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[[2-(3,4-dichlorophenyl)cyclohexyl]methyl]propan-2-amine?
The InChIKey is CRHJOAGTXJCZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2N/c1-11(2)19-10-13-5-3-4-6-14(13)12-7-8-15(17)16(18)9-12/h7-9,11,13-14,19H,3-6,10H2,1-2H3.
What are the key properties of N-[[2-(3,4-dichlorophenyl)cyclohexyl]methyl]propan-2-amine?
N-[[2-(3,4-dichlorophenyl)cyclohexyl]methyl]propan-2-amine has a molecular weight of 300.27 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,4-dichlorophenyl)cyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 81024326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).