N-[2-(2,4-dichlorophenyl)ethyl]-2,4-dimethylcyclohexan-1-amine

C16H23Cl2N — CID 64774730

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-2,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(NCCc2ccc(Cl)cc2Cl)C(C)C1
InChIInChI=1S/C16H23Cl2N/c1-11-3-6-16(12(2)9-11)19-8-7-13-4-5-14(17)10-15(13)18/h4-5,10-12,16,19H,3,6-9H2,1-2H3
InChIKeyVSUGNAXBPMDMPE-UHFFFAOYSA-N
MW300.27 g/mol
LogP4.95
Rot. Bonds4

About N-[2-(2,4-dichlorophenyl)ethyl]-2,4-dimethylcyclohexan-1-amine

N-[2-(2,4-dichlorophenyl)ethyl]-2,4-dimethylcyclohexan-1-amine (PubChem CID 64774730) has the molecular formula C16H23Cl2N and a molecular weight of 300.27 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-2,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-2,4-dimethylcyclohexan-1-amine
PubChem CID64774730
Molecular FormulaC16H23Cl2N
Molecular Weight300.27 g/mol
Exact Mass299.12
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-2,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(NCCc2ccc(Cl)cc2Cl)C(C)C1
InChIInChI=1S/C16H23Cl2N/c1-11-3-6-16(12(2)9-11)19-8-7-13-4-5-14(17)10-15(13)18/h4-5,10-12,16,19H,3,6-9H2,1-2H3
InChIKeyVSUGNAXBPMDMPE-UHFFFAOYSA-N
XLogP4.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(2,4-dichlorophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine
CID 64774529
N-[2-(2,4-dichlorophenyl)ethyl]-2-methoxycyclohexan-1-amine
CID 2849596
N-[(2-bromo-5-chlorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 66161363
N-[(2,4-difluorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63995268
2-[2-(2,4-dichlorophenyl)ethylamino]cyclopentane-1-carbonitrile
CID 62741470
N-[(3,5-dichlorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63993891
N-[(4-chloro-3-fluorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 63994116
2,4-dichloro-1-[(2-chloro-5-methylcyclohexyl)methyl]benzene
CID 63461138
1-[4-[2-(2,4-dichlorophenyl)ethylamino]piperidin-1-yl]ethanone
CID 43222996
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,4-dimethylcyclohexan-1-amine
CID 64774317
N-[[2-[(2,4-dichlorophenyl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81035101
2-(2,5-dichlorophenyl)sulfanyl-4-methyl-N-propylcyclohexan-1-amine
CID 64620847

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-2,4-dimethylcyclohexan-1-amine?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-2,4-dimethylcyclohexan-1-amine (CID 64774730) is N-[2-(2,4-dichlorophenyl)ethyl]-2,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-2,4-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-2,4-dimethylcyclohexan-1-amine is CC1CCC(NCCc2ccc(Cl)cc2Cl)C(C)C1.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-2,4-dimethylcyclohexan-1-amine?
The InChIKey is VSUGNAXBPMDMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2N/c1-11-3-6-16(12(2)9-11)19-8-7-13-4-5-14(17)10-15(13)18/h4-5,10-12,16,19H,3,6-9H2,1-2H3.
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-2,4-dimethylcyclohexan-1-amine?
N-[2-(2,4-dichlorophenyl)ethyl]-2,4-dimethylcyclohexan-1-amine has a molecular weight of 300.27 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-2,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64774730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).