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

C15H21Cl2NO — CID 43761470

IUPACN-[1-(2,4-dichlorophenyl)ethyl]-2-methoxycyclohexan-1-amine
SMILESCOC1CCCCC1NC(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H21Cl2NO/c1-10(12-8-7-11(16)9-13(12)17)18-14-5-3-4-6-15(14)19-2/h7-10,14-15,18H,3-6H2,1-2H3
InChIKeyXZSSYDRTSWEPED-UHFFFAOYSA-N
MW302.24 g/mol
LogP4.60
Rot. Bonds4

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

N-[1-(2,4-dichlorophenyl)ethyl]-2-methoxycyclohexan-1-amine (PubChem CID 43761470) has the molecular formula C15H21Cl2NO and a molecular weight of 302.24 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)ethyl]-2-methoxycyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)ethyl]-2-methoxycyclohexan-1-amine
PubChem CID43761470
Molecular FormulaC15H21Cl2NO
Molecular Weight302.24 g/mol
Exact Mass301.10
IUPAC NameN-[1-(2,4-dichlorophenyl)ethyl]-2-methoxycyclohexan-1-amine
SMILESCOC1CCCCC1NC(C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H21Cl2NO/c1-10(12-8-7-11(16)9-13(12)17)18-14-5-3-4-6-15(14)19-2/h7-10,14-15,18H,3-6H2,1-2H3
InChIKeyXZSSYDRTSWEPED-UHFFFAOYSA-N
XLogP4.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[1-(2,4-dichlorophenyl)ethylamino]cyclohexyl]methanol
CID 103785005
N-[1-(2,4-dichlorophenyl)ethyl]cyclooctanamine
CID 43078996
N-[1-(2,4-dichlorophenyl)ethyl]-2-methylcyclopropan-1-amine
CID 62397096
N-[1-(3,4-difluorophenyl)ethyl]-2-methoxycyclohexan-1-amine
CID 43780431
2-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 81396821
N-[(1R)-1-(2-bromophenyl)ethyl]-2-methoxycyclohexan-1-amine
CID 81378180
N-cyclopentyloxy-1-(2,4-dichlorophenyl)ethanamine
CID 83229855
N-[2-(2,4-dichlorophenyl)ethyl]-2-methoxycyclohexan-1-amine
CID 2849596
N-[(1S)-1-(4-bromophenyl)ethyl]-2-methoxycyclohexan-1-amine
CID 81359045
N-[1-(4-fluorophenyl)ethyl]-2-methoxycyclohexan-1-amine
CID 43766679
4-[1-(2,4-dichlorophenyl)ethylamino]-1,1-dioxothiolan-3-ol
CID 60665717
N-[1-(2,5-dichlorophenyl)ethyl]-2-methylcyclopentan-1-amine
CID 55193924

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-2-methoxycyclohexan-1-amine?
The IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-2-methoxycyclohexan-1-amine (CID 43761470) is N-[1-(2,4-dichlorophenyl)ethyl]-2-methoxycyclohexan-1-amine.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)ethyl]-2-methoxycyclohexan-1-amine?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)ethyl]-2-methoxycyclohexan-1-amine is COC1CCCCC1NC(C)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)ethyl]-2-methoxycyclohexan-1-amine?
The InChIKey is XZSSYDRTSWEPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO/c1-10(12-8-7-11(16)9-13(12)17)18-14-5-3-4-6-15(14)19-2/h7-10,14-15,18H,3-6H2,1-2H3.
What are the key properties of N-[1-(2,4-dichlorophenyl)ethyl]-2-methoxycyclohexan-1-amine?
N-[1-(2,4-dichlorophenyl)ethyl]-2-methoxycyclohexan-1-amine has a molecular weight of 302.24 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)ethyl]-2-methoxycyclohexan-1-amine is sourced from PubChem (CID 43761470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).