1-[(3-chloro-4-methylphenyl)-(methylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine

C18H29ClN2 — CID 107560479

IUPAC1-[(3-chloro-4-methylphenyl)-(methylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine
SMILESCNC(c1ccc(C)c(Cl)c1)C1(N(C)C)CCCC(C)C1
InChIInChI=1S/C18H29ClN2/c1-13-7-6-10-18(12-13,21(4)5)17(20-3)15-9-8-14(2)16(19)11-15/h8-9,11,13,17,20H,6-7,10,12H2,1-5H3
InChIKeyANDPIXWFEXTMQJ-UHFFFAOYSA-N
MW308.90 g/mol
LogP4.42
Rot. Bonds4

About 1-[(3-chloro-4-methylphenyl)-(methylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine

1-[(3-chloro-4-methylphenyl)-(methylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine (PubChem CID 107560479) has the molecular formula C18H29ClN2 and a molecular weight of 308.90 g/mol. Its IUPAC name is 1-[(3-chloro-4-methylphenyl)-(methylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(3-chloro-4-methylphenyl)-(methylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine
PubChem CID107560479
Molecular FormulaC18H29ClN2
Molecular Weight308.90 g/mol
Exact Mass308.20
IUPAC Name1-[(3-chloro-4-methylphenyl)-(methylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine
SMILESCNC(c1ccc(C)c(Cl)c1)C1(N(C)C)CCCC(C)C1
InChIInChI=1S/C18H29ClN2/c1-13-7-6-10-18(12-13,21(4)5)17(20-3)15-9-8-14(2)16(19)11-15/h8-9,11,13,17,20H,6-7,10,12H2,1-5H3
InChIKeyANDPIXWFEXTMQJ-UHFFFAOYSA-N
XLogP4.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.90
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3,4-dimethylphenyl)-(methylamino)methyl]-N,N,4-trimethylcyclohexan-1-amine
CID 79061537
1-[(3,4-difluorophenyl)-hydrazinylmethyl]-N,N,3-trimethylcyclohexan-1-amine
CID 105243646
1-[2-(4-chlorophenyl)-1-(methylamino)ethyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79062833
1-[(3-fluoro-4-methylphenyl)-(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 107128925
(3-chloro-4-methylphenyl)-(1-methoxy-3-methylcyclohexyl)methanamine
CID 107560765
(4-chloro-3-methoxyphenyl)-[1-(dimethylamino)-3-methylcyclohexyl]methanol
CID 79697137
N,N,3-trimethyl-1-[1-(methylamino)but-3-ynyl]cyclohexan-1-amine
CID 79074998
1-(3-chloro-4-methylphenyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105010373
1-[amino-(2-methylphenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79074317
1-[amino-(4-fluoro-2-methylphenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79074616
[1-(dimethylamino)-3-methylcyclohexyl]-(3-methylphenyl)methanol
CID 79074534
N,N,4-trimethyl-1-[methylamino(phenyl)methyl]cyclohexan-1-amine
CID 79074735

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-4-methylphenyl)-(methylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine?
The IUPAC name of 1-[(3-chloro-4-methylphenyl)-(methylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine (CID 107560479) is 1-[(3-chloro-4-methylphenyl)-(methylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[(3-chloro-4-methylphenyl)-(methylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine?
The canonical SMILES for 1-[(3-chloro-4-methylphenyl)-(methylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine is CNC(c1ccc(C)c(Cl)c1)C1(N(C)C)CCCC(C)C1.
What is the InChIKey of 1-[(3-chloro-4-methylphenyl)-(methylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine?
The InChIKey is ANDPIXWFEXTMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29ClN2/c1-13-7-6-10-18(12-13,21(4)5)17(20-3)15-9-8-14(2)16(19)11-15/h8-9,11,13,17,20H,6-7,10,12H2,1-5H3.
What are the key properties of 1-[(3-chloro-4-methylphenyl)-(methylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine?
1-[(3-chloro-4-methylphenyl)-(methylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine has a molecular weight of 308.90 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-4-methylphenyl)-(methylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine is sourced from PubChem (CID 107560479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).