1-(5-chloro-2-methoxyphenyl)-1-(1-methoxycyclohexyl)-N-methylmethanamine

C16H24ClNO2 — CID 116762928

IUPAC1-(5-chloro-2-methoxyphenyl)-1-(1-methoxycyclohexyl)-N-methylmethanamine
SMILESCNC(c1cc(Cl)ccc1OC)C1(OC)CCCCC1
InChIInChI=1S/C16H24ClNO2/c1-18-15(16(20-3)9-5-4-6-10-16)13-11-12(17)7-8-14(13)19-2/h7-8,11,15,18H,4-6,9-10H2,1-3H3
InChIKeyNJLRVQVYUQIFFP-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.96
Rot. Bonds5

About 1-(5-chloro-2-methoxyphenyl)-1-(1-methoxycyclohexyl)-N-methylmethanamine

1-(5-chloro-2-methoxyphenyl)-1-(1-methoxycyclohexyl)-N-methylmethanamine (PubChem CID 116762928) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-1-(1-methoxycyclohexyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-1-(1-methoxycyclohexyl)-N-methylmethanamine
PubChem CID116762928
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC Name1-(5-chloro-2-methoxyphenyl)-1-(1-methoxycyclohexyl)-N-methylmethanamine
SMILESCNC(c1cc(Cl)ccc1OC)C1(OC)CCCCC1
InChIInChI=1S/C16H24ClNO2/c1-18-15(16(20-3)9-5-4-6-10-16)13-11-12(17)7-8-14(13)19-2/h7-8,11,15,18H,4-6,9-10H2,1-3H3
InChIKeyNJLRVQVYUQIFFP-UHFFFAOYSA-N
XLogP3.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylmethanamine
CID 116766450
(5-chloro-2-methoxyphenyl)-(1-methoxycycloheptyl)methanol
CID 116756025
[(5-chloro-2-methoxyphenyl)-(1-ethoxycyclohexyl)methyl]hydrazine
CID 105276423
1-[(5-chloro-2-methoxyphenyl)-(methylamino)methyl]cyclopropane-1-carbonitrile
CID 116957991
1-(1-methoxycycloheptyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 116770175
[(2,5-dichlorophenyl)-(1-methoxycyclopentyl)methyl]hydrazine
CID 105268736
[(5-fluoro-2-methoxyphenyl)-(1-methoxycyclohexyl)methyl]hydrazine
CID 105276084
[(1-methoxycyclopentyl)-(2-methoxy-5-methylphenyl)methyl]hydrazine
CID 105268692
(5-chloro-2-methoxyphenyl)-(1-ethoxycycloheptyl)methanamine
CID 116770642
1-(5-chloro-2-methoxyphenyl)-N,N'-dimethylmethanediamine
CID 116954303
1-(1-methoxycyclobutyl)-1-(4-methoxy-2,5-dimethylphenyl)-N-methylmethanamine
CID 116714296
1-(1-methoxycyclohexyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 116762847

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-1-(1-methoxycyclohexyl)-N-methylmethanamine?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-1-(1-methoxycyclohexyl)-N-methylmethanamine (CID 116762928) is 1-(5-chloro-2-methoxyphenyl)-1-(1-methoxycyclohexyl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-1-(1-methoxycyclohexyl)-N-methylmethanamine?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-1-(1-methoxycyclohexyl)-N-methylmethanamine is CNC(c1cc(Cl)ccc1OC)C1(OC)CCCCC1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-1-(1-methoxycyclohexyl)-N-methylmethanamine?
The InChIKey is NJLRVQVYUQIFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-18-15(16(20-3)9-5-4-6-10-16)13-11-12(17)7-8-14(13)19-2/h7-8,11,15,18H,4-6,9-10H2,1-3H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-1-(1-methoxycyclohexyl)-N-methylmethanamine?
1-(5-chloro-2-methoxyphenyl)-1-(1-methoxycyclohexyl)-N-methylmethanamine has a molecular weight of 297.83 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-1-(1-methoxycyclohexyl)-N-methylmethanamine is sourced from PubChem (CID 116762928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).