N-[(3,5-dimethylcyclohexyl)-(2-methoxy-5-methylphenyl)methyl]ethanamine

C19H31NO — CID 104988838

IUPACN-[(3,5-dimethylcyclohexyl)-(2-methoxy-5-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(C)ccc1OC)C1CC(C)CC(C)C1
InChIInChI=1S/C19H31NO/c1-6-20-19(16-10-14(3)9-15(4)11-16)17-12-13(2)7-8-18(17)21-5/h7-8,12,14-16,19-20H,6,9-11H2,1-5H3
InChIKeyDHWZFEPNAORLAN-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.73
Rot. Bonds5

About N-[(3,5-dimethylcyclohexyl)-(2-methoxy-5-methylphenyl)methyl]ethanamine

N-[(3,5-dimethylcyclohexyl)-(2-methoxy-5-methylphenyl)methyl]ethanamine (PubChem CID 104988838) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-[(3,5-dimethylcyclohexyl)-(2-methoxy-5-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,5-dimethylcyclohexyl)-(2-methoxy-5-methylphenyl)methyl]ethanamine
PubChem CID104988838
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-[(3,5-dimethylcyclohexyl)-(2-methoxy-5-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(C)ccc1OC)C1CC(C)CC(C)C1
InChIInChI=1S/C19H31NO/c1-6-20-19(16-10-14(3)9-15(4)11-16)17-12-13(2)7-8-18(17)21-5/h7-8,12,14-16,19-20H,6,9-11H2,1-5H3
InChIKeyDHWZFEPNAORLAN-UHFFFAOYSA-N
XLogP4.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclooctyl-(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 65018169
N-[(2-methoxy-5-methylphenyl)-(oxan-3-yl)methyl]ethanamine
CID 63011043
N-[(2-methoxy-5-methylphenyl)-(3-methyl-1,4-dithian-2-yl)methyl]ethanamine
CID 115387172
N-[(3,5-dimethylcyclohexyl)-(2-methylphenyl)methyl]ethanamine
CID 64731101
N-[(3,5-dimethylcyclohexyl)-(4-methyl-2-pyridinyl)methyl]ethanamine
CID 64731117
N-[(2-methoxy-4-methylphenyl)-(oxan-4-yl)methyl]ethanamine
CID 106792296
N-[cycloheptyl-(2-methoxy-5-methylphenyl)methyl]propan-1-amine
CID 63501845
N-[(3,5-dimethylcyclohexyl)-(2-methyl-3-pyridinyl)methyl]ethanamine
CID 105154308
2-(3,5-dimethylcyclohexyl)oxy-1-(2-methoxy-5-methylphenyl)ethanol
CID 64728823
2-(3,5-dimethylcyclohexyl)oxy-1-(2-methoxy-5-methylphenyl)ethanamine
CID 64728380
N-[(2-fluoro-5-methylphenyl)-(3-methylcyclopentyl)methyl]ethanamine
CID 65415800
2-cyclopentyl-N-ethyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 60778145

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylcyclohexyl)-(2-methoxy-5-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(3,5-dimethylcyclohexyl)-(2-methoxy-5-methylphenyl)methyl]ethanamine (CID 104988838) is N-[(3,5-dimethylcyclohexyl)-(2-methoxy-5-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3,5-dimethylcyclohexyl)-(2-methoxy-5-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3,5-dimethylcyclohexyl)-(2-methoxy-5-methylphenyl)methyl]ethanamine is CCNC(c1cc(C)ccc1OC)C1CC(C)CC(C)C1.
What is the InChIKey of N-[(3,5-dimethylcyclohexyl)-(2-methoxy-5-methylphenyl)methyl]ethanamine?
The InChIKey is DHWZFEPNAORLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-6-20-19(16-10-14(3)9-15(4)11-16)17-12-13(2)7-8-18(17)21-5/h7-8,12,14-16,19-20H,6,9-11H2,1-5H3.
What are the key properties of N-[(3,5-dimethylcyclohexyl)-(2-methoxy-5-methylphenyl)methyl]ethanamine?
N-[(3,5-dimethylcyclohexyl)-(2-methoxy-5-methylphenyl)methyl]ethanamine has a molecular weight of 289.46 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylcyclohexyl)-(2-methoxy-5-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 104988838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).