[4-ethyl-1-[(4-ethylphenyl)methoxy]cyclohexyl]methanamine

C18H29NO — CID 65052704

IUPAC[4-ethyl-1-[(4-ethylphenyl)methoxy]cyclohexyl]methanamine
SMILESCCc1ccc(COC2(CN)CCC(CC)CC2)cc1
InChIInChI=1S/C18H29NO/c1-3-15-5-7-17(8-6-15)13-20-18(14-19)11-9-16(4-2)10-12-18/h5-8,16H,3-4,9-14,19H2,1-2H3
InChIKeyBYHIUJWTANZNOS-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.06
Rot. Bonds6

About [4-ethyl-1-[(4-ethylphenyl)methoxy]cyclohexyl]methanamine

[4-ethyl-1-[(4-ethylphenyl)methoxy]cyclohexyl]methanamine (PubChem CID 65052704) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is [4-ethyl-1-[(4-ethylphenyl)methoxy]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-ethyl-1-[(4-ethylphenyl)methoxy]cyclohexyl]methanamine
PubChem CID65052704
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name[4-ethyl-1-[(4-ethylphenyl)methoxy]cyclohexyl]methanamine
SMILESCCc1ccc(COC2(CN)CCC(CC)CC2)cc1
InChIInChI=1S/C18H29NO/c1-3-15-5-7-17(8-6-15)13-20-18(14-19)11-9-16(4-2)10-12-18/h5-8,16H,3-4,9-14,19H2,1-2H3
InChIKeyBYHIUJWTANZNOS-UHFFFAOYSA-N
XLogP4.06
TPSA35.25 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 ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(4-ethylphenyl)methoxy]-4-propan-2-ylcyclohexyl]methanamine
CID 65052864
[1-[(4-bromophenyl)methoxy]-4-propylcyclohexyl]methanamine
CID 82832044
[4-propyl-1-(pyridin-4-ylmethoxy)cyclohexyl]methanamine
CID 65052803
[4-ethyl-1-[(2-methoxy-5-methylphenyl)methoxy]cyclohexyl]methanamine
CID 65052647
[4-ethyl-1-[(1-propan-2-ylpyrazol-3-yl)methoxy]cyclohexyl]methanamine
CID 65052354
[4-methyl-1-[[4-(trifluoromethyl)phenyl]methoxy]cyclohexyl]methanamine
CID 65050673
(1-ethoxy-4-ethylcycloheptyl)methanamine
CID 66073194
(4-tert-butyl-1-phenylmethoxycyclohexyl)methanamine
CID 63473711
[1-(2-ethoxyethoxy)-4-ethylcyclohexyl]methanamine
CID 62107731
1-(4-ethylcyclohexyl)-N-[(4-ethylphenyl)methyl]methanamine
CID 63451562
(1-cycloheptyloxy-4-ethylcyclohexyl)methanamine
CID 62110904
(1-phenylmethoxycyclopentyl)methanamine
CID 62107893

Frequently Asked Questions

What is the IUPAC name of [4-ethyl-1-[(4-ethylphenyl)methoxy]cyclohexyl]methanamine?
The IUPAC name of [4-ethyl-1-[(4-ethylphenyl)methoxy]cyclohexyl]methanamine (CID 65052704) is [4-ethyl-1-[(4-ethylphenyl)methoxy]cyclohexyl]methanamine.
What is the SMILES notation for [4-ethyl-1-[(4-ethylphenyl)methoxy]cyclohexyl]methanamine?
The canonical SMILES for [4-ethyl-1-[(4-ethylphenyl)methoxy]cyclohexyl]methanamine is CCc1ccc(COC2(CN)CCC(CC)CC2)cc1.
What is the InChIKey of [4-ethyl-1-[(4-ethylphenyl)methoxy]cyclohexyl]methanamine?
The InChIKey is BYHIUJWTANZNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-3-15-5-7-17(8-6-15)13-20-18(14-19)11-9-16(4-2)10-12-18/h5-8,16H,3-4,9-14,19H2,1-2H3.
What are the key properties of [4-ethyl-1-[(4-ethylphenyl)methoxy]cyclohexyl]methanamine?
[4-ethyl-1-[(4-ethylphenyl)methoxy]cyclohexyl]methanamine has a molecular weight of 275.44 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-1-[(4-ethylphenyl)methoxy]cyclohexyl]methanamine is sourced from PubChem (CID 65052704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).