N-[(1-ethoxycyclohexyl)-(3-methylphenyl)methyl]ethanamine

C18H29NO — CID 116764104

IUPACN-[(1-ethoxycyclohexyl)-(3-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(C)c1)C1(OCC)CCCCC1
InChIInChI=1S/C18H29NO/c1-4-19-17(16-11-9-10-15(3)14-16)18(20-5-2)12-7-6-8-13-18/h9-11,14,17,19H,4-8,12-13H2,1-3H3
InChIKeyDLENSIWQIJMBNO-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.39
Rot. Bonds6

About N-[(1-ethoxycyclohexyl)-(3-methylphenyl)methyl]ethanamine

N-[(1-ethoxycyclohexyl)-(3-methylphenyl)methyl]ethanamine (PubChem CID 116764104) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[(1-ethoxycyclohexyl)-(3-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-ethoxycyclohexyl)-(3-methylphenyl)methyl]ethanamine
PubChem CID116764104
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-[(1-ethoxycyclohexyl)-(3-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(C)c1)C1(OCC)CCCCC1
InChIInChI=1S/C18H29NO/c1-4-19-17(16-11-9-10-15(3)14-16)18(20-5-2)12-7-6-8-13-18/h9-11,14,17,19H,4-8,12-13H2,1-3H3
InChIKeyDLENSIWQIJMBNO-UHFFFAOYSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-ethoxycycloheptyl)-(3-fluorophenyl)methyl]ethanamine
CID 116771021
N-[(1-ethoxycycloheptyl)-(4-methylphenyl)methyl]ethanamine
CID 116771044
N-[(1-ethoxycyclopentyl)-phenylmethyl]ethanamine
CID 116762125
N-[(3,4-dimethylphenyl)-(1-ethoxycyclopentyl)methyl]ethanamine
CID 116762306
N-[(1-ethoxycyclohexyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 116764137
N-[(2,4-dimethylphenyl)-(1-ethoxycyclohexyl)methyl]ethanamine
CID 116764056
N-[(4-ethoxyoxan-4-yl)-(3-methylphenyl)methyl]propan-1-amine
CID 116766028
N-[(1-ethoxycyclopentyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 116762140
1-(1-ethoxycyclopentyl)-N-ethyl-2-(3-methylphenyl)ethanamine
CID 116762276
N-[(1-ethoxycyclopentyl)-(4-fluorophenyl)methyl]ethanamine
CID 116762251
[(1-ethoxycyclohexyl)-(3-fluorophenyl)methyl]hydrazine
CID 105276324
N-[(1-ethoxycyclohexyl)-phenylmethyl]propan-1-amine
CID 116764179

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethoxycyclohexyl)-(3-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(1-ethoxycyclohexyl)-(3-methylphenyl)methyl]ethanamine (CID 116764104) is N-[(1-ethoxycyclohexyl)-(3-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(1-ethoxycyclohexyl)-(3-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(1-ethoxycyclohexyl)-(3-methylphenyl)methyl]ethanamine is CCNC(c1cccc(C)c1)C1(OCC)CCCCC1.
What is the InChIKey of N-[(1-ethoxycyclohexyl)-(3-methylphenyl)methyl]ethanamine?
The InChIKey is DLENSIWQIJMBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-19-17(16-11-9-10-15(3)14-16)18(20-5-2)12-7-6-8-13-18/h9-11,14,17,19H,4-8,12-13H2,1-3H3.
What are the key properties of N-[(1-ethoxycyclohexyl)-(3-methylphenyl)methyl]ethanamine?
N-[(1-ethoxycyclohexyl)-(3-methylphenyl)methyl]ethanamine has a molecular weight of 275.44 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethoxycyclohexyl)-(3-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 116764104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).