(1-ethoxy-4-methylcyclohexyl)-(4-ethylphenyl)methanamine

C18H29NO — CID 116766963

IUPAC(1-ethoxy-4-methylcyclohexyl)-(4-ethylphenyl)methanamine
SMILESCCOC1(C(N)c2ccc(CC)cc2)CCC(C)CC1
InChIInChI=1S/C18H29NO/c1-4-15-6-8-16(9-7-15)17(19)18(20-5-2)12-10-14(3)11-13-18/h6-9,14,17H,4-5,10-13,19H2,1-3H3
InChIKeyLFHOSBZPNXQPET-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.23
Rot. Bonds5

About (1-ethoxy-4-methylcyclohexyl)-(4-ethylphenyl)methanamine

(1-ethoxy-4-methylcyclohexyl)-(4-ethylphenyl)methanamine (PubChem CID 116766963) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is (1-ethoxy-4-methylcyclohexyl)-(4-ethylphenyl)methanamine.

Molecular Properties

Compound Name(1-ethoxy-4-methylcyclohexyl)-(4-ethylphenyl)methanamine
PubChem CID116766963
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name(1-ethoxy-4-methylcyclohexyl)-(4-ethylphenyl)methanamine
SMILESCCOC1(C(N)c2ccc(CC)cc2)CCC(C)CC1
InChIInChI=1S/C18H29NO/c1-4-15-6-8-16(9-7-15)17(19)18(20-5-2)12-10-14(3)11-13-18/h6-9,14,17H,4-5,10-13,19H2,1-3H3
InChIKeyLFHOSBZPNXQPET-UHFFFAOYSA-N
XLogP4.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chloro-5-fluorophenyl)-(1-ethoxy-4-methylcyclohexyl)methanamine
CID 105395547
(1-ethoxy-4-methylcyclohexyl)-(4-fluorophenyl)methanol
CID 116754846
(1-ethoxycyclopentyl)-(4-propan-2-ylphenyl)methanamine
CID 116761580
[(1-ethoxy-4-methylcyclohexyl)-(4-methylphenyl)methyl]hydrazine
CID 105277256
(1-ethoxy-4-methylcyclohexyl)-(4-methylcyclohexyl)methanamine
CID 116766990
2-(4-chloro-3-fluorophenyl)-1-(1-ethoxy-4-methylcyclohexyl)ethanamine
CID 107885231
(4-ethoxyoxan-4-yl)-phenylmethanamine
CID 116765292
[(3,4-difluorophenyl)-(1-ethoxy-4-methylcyclohexyl)methyl]hydrazine
CID 105277308
(1-ethoxycyclopentyl)-(4-propan-2-yloxyphenyl)methanamine
CID 116761739
1-(1-ethoxy-4-methylcyclohexyl)-2-(2-methylphenyl)ethanamine
CID 116766935
1-(4-chlorophenyl)-1-(1-ethoxy-4-methylcyclohexyl)-N-methylmethanamine
CID 116767179
1-[amino-(4-ethylphenyl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79075065

Frequently Asked Questions

What is the IUPAC name of (1-ethoxy-4-methylcyclohexyl)-(4-ethylphenyl)methanamine?
The IUPAC name of (1-ethoxy-4-methylcyclohexyl)-(4-ethylphenyl)methanamine (CID 116766963) is (1-ethoxy-4-methylcyclohexyl)-(4-ethylphenyl)methanamine.
What is the SMILES notation for (1-ethoxy-4-methylcyclohexyl)-(4-ethylphenyl)methanamine?
The canonical SMILES for (1-ethoxy-4-methylcyclohexyl)-(4-ethylphenyl)methanamine is CCOC1(C(N)c2ccc(CC)cc2)CCC(C)CC1.
What is the InChIKey of (1-ethoxy-4-methylcyclohexyl)-(4-ethylphenyl)methanamine?
The InChIKey is LFHOSBZPNXQPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-15-6-8-16(9-7-15)17(19)18(20-5-2)12-10-14(3)11-13-18/h6-9,14,17H,4-5,10-13,19H2,1-3H3.
What are the key properties of (1-ethoxy-4-methylcyclohexyl)-(4-ethylphenyl)methanamine?
(1-ethoxy-4-methylcyclohexyl)-(4-ethylphenyl)methanamine has a molecular weight of 275.44 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxy-4-methylcyclohexyl)-(4-ethylphenyl)methanamine is sourced from PubChem (CID 116766963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).