2-cyclohexyl-1-(3,4-dimethylphenyl)-N-ethyl-2-methoxyethanamine

C19H31NO — CID 116771781

IUPAC2-cyclohexyl-1-(3,4-dimethylphenyl)-N-ethyl-2-methoxyethanamine
SMILESCCNC(c1ccc(C)c(C)c1)C(OC)C1CCCCC1
InChIInChI=1S/C19H31NO/c1-5-20-18(17-12-11-14(2)15(3)13-17)19(21-4)16-9-7-6-8-10-16/h11-13,16,18-20H,5-10H2,1-4H3
InChIKeyZTHZFTJMQASKNU-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.55
Rot. Bonds6

About 2-cyclohexyl-1-(3,4-dimethylphenyl)-N-ethyl-2-methoxyethanamine

2-cyclohexyl-1-(3,4-dimethylphenyl)-N-ethyl-2-methoxyethanamine (PubChem CID 116771781) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 2-cyclohexyl-1-(3,4-dimethylphenyl)-N-ethyl-2-methoxyethanamine.

Molecular Properties

Compound Name2-cyclohexyl-1-(3,4-dimethylphenyl)-N-ethyl-2-methoxyethanamine
PubChem CID116771781
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name2-cyclohexyl-1-(3,4-dimethylphenyl)-N-ethyl-2-methoxyethanamine
SMILESCCNC(c1ccc(C)c(C)c1)C(OC)C1CCCCC1
InChIInChI=1S/C19H31NO/c1-5-20-18(17-12-11-14(2)15(3)13-17)19(21-4)16-9-7-6-8-10-16/h11-13,16,18-20H,5-10H2,1-4H3
InChIKeyZTHZFTJMQASKNU-UHFFFAOYSA-N
XLogP4.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexyl-1-(3,4-dimethylphenyl)-2-methoxy-N-methylethanamine
CID 116771600
N-[cycloheptyl-(3,4-dimethylphenyl)methyl]ethanamine
CID 63507724
2-cyclohexyl-N-ethyl-2-methoxy-1-(5-methylthiophen-2-yl)ethanamine
CID 116771802
2-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-2-methoxyethanamine
CID 116722579
1-(4-tert-butylphenyl)-2-cyclopropyl-N-ethyl-2-methoxyethanamine
CID 116722412
N-[cycloheptyl-(3-methoxy-4-methylphenyl)methyl]ethanamine
CID 105027735
N-[2-cyclohexyl-1-(furan-3-yl)-2-methoxyethyl]propan-1-amine
CID 116771848
1,2-dicyclohexyl-N-ethyl-2-methoxyethanamine
CID 116771642
2-cyclopropyl-N-ethyl-2-methoxy-1-[3-(2-methylpropyl)phenyl]ethanamine
CID 116722482
2-cyclopropyl-N-ethyl-2-methoxy-1-thiophen-3-ylethanamine
CID 116722511
2-cyclohexyl-2-methoxy-N-methyl-1-(2,4,5-trimethylphenyl)ethanamine
CID 116771562
2-cyclohexyl-N-ethyl-1-(3-fluoro-4-pyridinyl)-2-methoxyethanamine
CID 116771778

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(3,4-dimethylphenyl)-N-ethyl-2-methoxyethanamine?
The IUPAC name of 2-cyclohexyl-1-(3,4-dimethylphenyl)-N-ethyl-2-methoxyethanamine (CID 116771781) is 2-cyclohexyl-1-(3,4-dimethylphenyl)-N-ethyl-2-methoxyethanamine.
What is the SMILES notation for 2-cyclohexyl-1-(3,4-dimethylphenyl)-N-ethyl-2-methoxyethanamine?
The canonical SMILES for 2-cyclohexyl-1-(3,4-dimethylphenyl)-N-ethyl-2-methoxyethanamine is CCNC(c1ccc(C)c(C)c1)C(OC)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-1-(3,4-dimethylphenyl)-N-ethyl-2-methoxyethanamine?
The InChIKey is ZTHZFTJMQASKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-5-20-18(17-12-11-14(2)15(3)13-17)19(21-4)16-9-7-6-8-10-16/h11-13,16,18-20H,5-10H2,1-4H3.
What are the key properties of 2-cyclohexyl-1-(3,4-dimethylphenyl)-N-ethyl-2-methoxyethanamine?
2-cyclohexyl-1-(3,4-dimethylphenyl)-N-ethyl-2-methoxyethanamine has a molecular weight of 289.46 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(3,4-dimethylphenyl)-N-ethyl-2-methoxyethanamine is sourced from PubChem (CID 116771781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).