1-cyclohexyl-N-methyl-1-(2,3,4-trimethoxyphenyl)methanamine

C17H27NO3 — CID 43589052

IUPAC1-cyclohexyl-N-methyl-1-(2,3,4-trimethoxyphenyl)methanamine
SMILESCNC(c1ccc(OC)c(OC)c1OC)C1CCCCC1
InChIInChI=1S/C17H27NO3/c1-18-15(12-8-6-5-7-9-12)13-10-11-14(19-2)17(21-4)16(13)20-3/h10-12,15,18H,5-9H2,1-4H3
InChIKeyZMMHAFPKHDOWAJ-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.55
Rot. Bonds6

About 1-cyclohexyl-N-methyl-1-(2,3,4-trimethoxyphenyl)methanamine

1-cyclohexyl-N-methyl-1-(2,3,4-trimethoxyphenyl)methanamine (PubChem CID 43589052) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-cyclohexyl-N-methyl-1-(2,3,4-trimethoxyphenyl)methanamine.

Molecular Properties

Compound Name1-cyclohexyl-N-methyl-1-(2,3,4-trimethoxyphenyl)methanamine
PubChem CID43589052
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name1-cyclohexyl-N-methyl-1-(2,3,4-trimethoxyphenyl)methanamine
SMILESCNC(c1ccc(OC)c(OC)c1OC)C1CCCCC1
InChIInChI=1S/C17H27NO3/c1-18-15(12-8-6-5-7-9-12)13-10-11-14(19-2)17(21-4)16(13)20-3/h10-12,15,18H,5-9H2,1-4H3
InChIKeyZMMHAFPKHDOWAJ-UHFFFAOYSA-N
XLogP3.55
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-N-methyl-1-(2,3,4-trimethoxyphenyl)methanamine
CID 43589051
(S)-cyclohexyl-(2,3,4-trimethoxyphenyl)methanamine
CID 171219387
[(3-bromo-2,4-dimethoxyphenyl)-cyclohexylmethyl]hydrazine
CID 103524580
1-[chloro(cyclopentyl)methyl]-2,3,4-trimethoxybenzene
CID 61084262
1-cyclobutyl-1-(2-methoxyphenyl)-N-methylmethanamine
CID 64986514
1-(4-methoxynaphthalen-1-yl)-N-methyl-1-(oxan-4-yl)methanamine
CID 62907229
1-cycloheptyl-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine
CID 105065977
(1S,2R)-2-amino-1-cyclohexyl-2-(2,3,4-trimethoxyphenyl)ethanol;hydrochloride
CID 171160903
1-(2-bromo-4,5-dimethoxyphenyl)-1-cycloheptyl-N-methylmethanamine
CID 63509267
1-cycloheptyl-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 55091680
1-cyclopentyl-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine
CID 105065154
1-cyclopentyl-1-(2-fluoro-4,5-dimethoxyphenyl)-N-methylmethanamine
CID 55125015

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-methyl-1-(2,3,4-trimethoxyphenyl)methanamine?
The IUPAC name of 1-cyclohexyl-N-methyl-1-(2,3,4-trimethoxyphenyl)methanamine (CID 43589052) is 1-cyclohexyl-N-methyl-1-(2,3,4-trimethoxyphenyl)methanamine.
What is the SMILES notation for 1-cyclohexyl-N-methyl-1-(2,3,4-trimethoxyphenyl)methanamine?
The canonical SMILES for 1-cyclohexyl-N-methyl-1-(2,3,4-trimethoxyphenyl)methanamine is CNC(c1ccc(OC)c(OC)c1OC)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-methyl-1-(2,3,4-trimethoxyphenyl)methanamine?
The InChIKey is ZMMHAFPKHDOWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-18-15(12-8-6-5-7-9-12)13-10-11-14(19-2)17(21-4)16(13)20-3/h10-12,15,18H,5-9H2,1-4H3.
What are the key properties of 1-cyclohexyl-N-methyl-1-(2,3,4-trimethoxyphenyl)methanamine?
1-cyclohexyl-N-methyl-1-(2,3,4-trimethoxyphenyl)methanamine has a molecular weight of 293.41 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-methyl-1-(2,3,4-trimethoxyphenyl)methanamine is sourced from PubChem (CID 43589052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).