1-(3,5-dichlorophenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine

C16H23Cl2N — CID 104991020

IUPAC1-(3,5-dichlorophenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
SMILESCCC1CCC(C(NC)c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C16H23Cl2N/c1-3-11-4-6-12(7-5-11)16(19-2)13-8-14(17)10-15(18)9-13/h8-12,16,19H,3-7H2,1-2H3
InChIKeyJZLNJTGFTMXDAI-UHFFFAOYSA-N
MW300.27 g/mol
LogP5.47
Rot. Bonds4

About 1-(3,5-dichlorophenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine

1-(3,5-dichlorophenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine (PubChem CID 104991020) has the molecular formula C16H23Cl2N and a molecular weight of 300.27 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
PubChem CID104991020
Molecular FormulaC16H23Cl2N
Molecular Weight300.27 g/mol
Exact Mass299.12
IUPAC Name1-(3,5-dichlorophenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
SMILESCCC1CCC(C(NC)c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C16H23Cl2N/c1-3-11-4-6-12(7-5-11)16(19-2)13-8-14(17)10-15(18)9-13/h8-12,16,19H,3-7H2,1-2H3
InChIKeyJZLNJTGFTMXDAI-UHFFFAOYSA-N
XLogP5.47
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 ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,5-dimethylphenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 65392502
1-(5-chloro-2-methylphenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 104990914
1-(4-ethylcyclohexyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 64774200
1-(4-chlorophenyl)-N-methyl-1-(4-propylcyclohexyl)methanamine
CID 65425698
1-[4-(difluoromethoxy)phenyl]-1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 104990940
1-(3,5-dichlorophenyl)-1-(3,5-dimethylcyclohexyl)-N-methylmethanamine
CID 104989009
1-(2,3-dichlorophenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 65392706
1-(3-chloro-2-methylphenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 107102502
1-(4-chlorophenyl)-1-cyclopropyl-N-[(4-ethylcyclohexyl)methyl]methanamine
CID 63451555
N-[cyclohexyl-(3,5-dichlorophenyl)methyl]propan-1-amine
CID 114981576
N-[(2,4-dichlorophenyl)-(4-ethylcyclohexyl)methyl]ethanamine
CID 104990929
1-(1-benzothiophen-2-yl)-1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 104991075

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine?
The IUPAC name of 1-(3,5-dichlorophenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine (CID 104991020) is 1-(3,5-dichlorophenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine?
The canonical SMILES for 1-(3,5-dichlorophenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine is CCC1CCC(C(NC)c2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine?
The InChIKey is JZLNJTGFTMXDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2N/c1-3-11-4-6-12(7-5-11)16(19-2)13-8-14(17)10-15(18)9-13/h8-12,16,19H,3-7H2,1-2H3.
What are the key properties of 1-(3,5-dichlorophenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine?
1-(3,5-dichlorophenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine has a molecular weight of 300.27 g/mol, XLogP of 5.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-1-(4-ethylcyclohexyl)-N-methylmethanamine is sourced from PubChem (CID 104991020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).