N-(2-cyclohexyloxyethyl)-1-(4-ethylphenyl)ethanamine

C18H29NO — CID 63827990

IUPACN-(2-cyclohexyloxyethyl)-1-(4-ethylphenyl)ethanamine
SMILESCCc1ccc(C(C)NCCOC2CCCCC2)cc1
InChIInChI=1S/C18H29NO/c1-3-16-9-11-17(12-10-16)15(2)19-13-14-20-18-7-5-4-6-8-18/h9-12,15,18-19H,3-8,13-14H2,1-2H3
InChIKeyKDZOYGQLJNXLQK-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.25
Rot. Bonds7

About N-(2-cyclohexyloxyethyl)-1-(4-ethylphenyl)ethanamine

N-(2-cyclohexyloxyethyl)-1-(4-ethylphenyl)ethanamine (PubChem CID 63827990) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-(2-cyclohexyloxyethyl)-1-(4-ethylphenyl)ethanamine.

Molecular Properties

Compound NameN-(2-cyclohexyloxyethyl)-1-(4-ethylphenyl)ethanamine
PubChem CID63827990
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-(2-cyclohexyloxyethyl)-1-(4-ethylphenyl)ethanamine
SMILESCCc1ccc(C(C)NCCOC2CCCCC2)cc1
InChIInChI=1S/C18H29NO/c1-3-16-9-11-17(12-10-16)15(2)19-13-14-20-18-7-5-4-6-8-18/h9-12,15,18-19H,3-8,13-14H2,1-2H3
InChIKeyKDZOYGQLJNXLQK-UHFFFAOYSA-N
XLogP4.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyclopentylethyl)-1-(4-ethylphenyl)ethanamine
CID 63450481
3-cyclohexyloxy-N-(1-phenylethyl)propan-1-amine
CID 43079659
methyl 5-[1-(2-cyclohexyloxyethylamino)ethyl]furan-2-carboxylate
CID 103251686
N'-cyclopentyl-N-[1-(4-ethylphenyl)ethyl]-N'-methylethane-1,2-diamine
CID 63314482
N-(2-cyclohexyloxyethyl)-1-(4-methylphenyl)propan-1-amine
CID 63827808
N-(2-cyclohexyloxyethyl)-1-(2,4-difluorophenyl)ethanamine
CID 63826183
N-[1-(4-ethylphenyl)ethyl]propan-1-amine
CID 43185208
4-[2-(2-cyclohexyloxyethylamino)propyl]phenol
CID 115494352
N-(2-cyclohexyloxyethyl)-1-(4-methoxyphenyl)propan-1-amine
CID 63826934
N-[(4-ethylcyclohexyl)methyl]-1-(4-ethylphenyl)ethanamine
CID 63452140
N-[2-(azepan-1-yl)ethyl]-1-(4-ethylphenyl)ethanamine
CID 61239798
N-(2-cyclopentyloxyethyl)-1-(5-methylthiophen-2-yl)ethanamine
CID 63824599

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyloxyethyl)-1-(4-ethylphenyl)ethanamine?
The IUPAC name of N-(2-cyclohexyloxyethyl)-1-(4-ethylphenyl)ethanamine (CID 63827990) is N-(2-cyclohexyloxyethyl)-1-(4-ethylphenyl)ethanamine.
What is the SMILES notation for N-(2-cyclohexyloxyethyl)-1-(4-ethylphenyl)ethanamine?
The canonical SMILES for N-(2-cyclohexyloxyethyl)-1-(4-ethylphenyl)ethanamine is CCc1ccc(C(C)NCCOC2CCCCC2)cc1.
What is the InChIKey of N-(2-cyclohexyloxyethyl)-1-(4-ethylphenyl)ethanamine?
The InChIKey is KDZOYGQLJNXLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-3-16-9-11-17(12-10-16)15(2)19-13-14-20-18-7-5-4-6-8-18/h9-12,15,18-19H,3-8,13-14H2,1-2H3.
What are the key properties of N-(2-cyclohexyloxyethyl)-1-(4-ethylphenyl)ethanamine?
N-(2-cyclohexyloxyethyl)-1-(4-ethylphenyl)ethanamine has a molecular weight of 275.44 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyloxyethyl)-1-(4-ethylphenyl)ethanamine is sourced from PubChem (CID 63827990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).