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

C15H21Cl2NO — CID 2849596

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-2-methoxycyclohexan-1-amine
SMILESCOC1CCCCC1NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H21Cl2NO/c1-19-15-5-3-2-4-14(15)18-9-8-11-6-7-12(16)10-13(11)17/h6-7,10,14-15,18H,2-5,8-9H2,1H3
InChIKeyIUSFWLVPOJVAGO-UHFFFAOYSA-N
MW302.24 g/mol
LogP4.08
Rot. Bonds5

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

N-[2-(2,4-dichlorophenyl)ethyl]-2-methoxycyclohexan-1-amine (PubChem CID 2849596) has the molecular formula C15H21Cl2NO and a molecular weight of 302.24 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-2-methoxycyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-2-methoxycyclohexan-1-amine
PubChem CID2849596
Molecular FormulaC15H21Cl2NO
Molecular Weight302.24 g/mol
Exact Mass301.10
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-2-methoxycyclohexan-1-amine
SMILESCOC1CCCCC1NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H21Cl2NO/c1-19-15-5-3-2-4-14(15)18-9-8-11-6-7-12(16)10-13(11)17/h6-7,10,14-15,18H,2-5,8-9H2,1H3
InChIKeyIUSFWLVPOJVAGO-UHFFFAOYSA-N
XLogP4.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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]-2,4-dimethylcyclohexan-1-amine
CID 64774730
2-[2-(2,4-dichlorophenyl)ethylamino]cyclopentane-1-carbonitrile
CID 62741470
2-(2,4-dichlorophenyl)ethyl-(2-methoxycyclohexyl)azanium
CID 4743356
cis-(1S,2R)-2-methoxy-N-[2-(2-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 768559
trans-(1S,2S)-2-methoxy-N-[2-(2-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 768564
N-[(2,4-difluorophenyl)methyl]-2-methoxycyclohexan-1-amine
CID 62223825
trans-(1R,2R)-2-methoxy-N-[2-(4-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 791634
N-[1-(2,4-dichlorophenyl)ethyl]-2-methoxycyclohexan-1-amine
CID 43761470
2-[(2,4-dichlorophenyl)methyl]-N-propylcyclohexan-1-amine
CID 63399956
N-[(3-chloro-4-fluorophenyl)methyl]-2-methoxycyclopentan-1-amine
CID 81144626
2-chloro-N-[(2,4-dichlorophenyl)methyl]cyclohexan-1-amine
CID 65026126

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-2-methoxycyclohexan-1-amine?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-2-methoxycyclohexan-1-amine (CID 2849596) is N-[2-(2,4-dichlorophenyl)ethyl]-2-methoxycyclohexan-1-amine.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-2-methoxycyclohexan-1-amine?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-2-methoxycyclohexan-1-amine is COC1CCCCC1NCCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-2-methoxycyclohexan-1-amine?
The InChIKey is IUSFWLVPOJVAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO/c1-19-15-5-3-2-4-14(15)18-9-8-11-6-7-12(16)10-13(11)17/h6-7,10,14-15,18H,2-5,8-9H2,1H3.
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-2-methoxycyclohexan-1-amine?
N-[2-(2,4-dichlorophenyl)ethyl]-2-methoxycyclohexan-1-amine has a molecular weight of 302.24 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-2-methoxycyclohexan-1-amine is sourced from PubChem (CID 2849596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).