N-[[2-(4-ethylcyclohexyl)oxy-3-methylphenyl]methyl]ethanamine

C18H29NO — CID 115952728

IUPACN-[[2-(4-ethylcyclohexyl)oxy-3-methylphenyl]methyl]ethanamine
SMILESCCNCc1cccc(C)c1OC1CCC(CC)CC1
InChIInChI=1S/C18H29NO/c1-4-15-9-11-17(12-10-15)20-18-14(3)7-6-8-16(18)13-19-5-2/h6-8,15,17,19H,4-5,9-13H2,1-3H3
InChIKeyKHWRRFKSWIUKOS-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.45
Rot. Bonds6

About N-[[2-(4-ethylcyclohexyl)oxy-3-methylphenyl]methyl]ethanamine

N-[[2-(4-ethylcyclohexyl)oxy-3-methylphenyl]methyl]ethanamine (PubChem CID 115952728) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[[2-(4-ethylcyclohexyl)oxy-3-methylphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(4-ethylcyclohexyl)oxy-3-methylphenyl]methyl]ethanamine
PubChem CID115952728
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-[[2-(4-ethylcyclohexyl)oxy-3-methylphenyl]methyl]ethanamine
SMILESCCNCc1cccc(C)c1OC1CCC(CC)CC1
InChIInChI=1S/C18H29NO/c1-4-15-9-11-17(12-10-15)20-18-14(3)7-6-8-16(18)13-19-5-2/h6-8,15,17,19H,4-5,9-13H2,1-3H3
InChIKeyKHWRRFKSWIUKOS-UHFFFAOYSA-N
XLogP4.45
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 ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(3,4-dimethylcyclohexyl)oxy-3-methylphenyl]methyl]ethanamine
CID 115952581
N-[(2-ethoxy-3-methylphenyl)methyl]ethanamine
CID 97179094
N-[[3-chloro-2-(4-ethylcyclohexyl)oxyphenyl]methyl]cyclopropanamine
CID 115953858
[2-(3-ethylcyclohexyl)oxy-3-methylphenyl]methanamine
CID 112607468
N-[[3-bromo-2-(oxan-4-yloxy)phenyl]methyl]ethanamine
CID 63936416
N-(1,3-benzodioxol-4-ylmethyl)-1-(4-ethylcyclohexyl)methanamine
CID 63451647
N-[[3-bromo-2-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]ethanamine
CID 64739556
3-[[(4-ethylcyclohexyl)methylamino]methyl]benzene-1,2-diol
CID 61317881
N-cyclopropyl-2-[2-(ethylaminomethyl)-6-methylphenoxy]propanamide
CID 115952731
2-(3-ethylcyclohexyl)oxy-3-methylbenzaldehyde
CID 112610922
2-[2-(ethylaminomethyl)-6-methylphenoxy]acetonitrile
CID 112609123
N-[[2-(3-fluoropropoxy)-3-methylphenyl]methyl]ethanamine
CID 112609046

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-ethylcyclohexyl)oxy-3-methylphenyl]methyl]ethanamine?
The IUPAC name of N-[[2-(4-ethylcyclohexyl)oxy-3-methylphenyl]methyl]ethanamine (CID 115952728) is N-[[2-(4-ethylcyclohexyl)oxy-3-methylphenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(4-ethylcyclohexyl)oxy-3-methylphenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(4-ethylcyclohexyl)oxy-3-methylphenyl]methyl]ethanamine is CCNCc1cccc(C)c1OC1CCC(CC)CC1.
What is the InChIKey of N-[[2-(4-ethylcyclohexyl)oxy-3-methylphenyl]methyl]ethanamine?
The InChIKey is KHWRRFKSWIUKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-15-9-11-17(12-10-15)20-18-14(3)7-6-8-16(18)13-19-5-2/h6-8,15,17,19H,4-5,9-13H2,1-3H3.
What are the key properties of N-[[2-(4-ethylcyclohexyl)oxy-3-methylphenyl]methyl]ethanamine?
N-[[2-(4-ethylcyclohexyl)oxy-3-methylphenyl]methyl]ethanamine has a molecular weight of 275.44 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-ethylcyclohexyl)oxy-3-methylphenyl]methyl]ethanamine is sourced from PubChem (CID 115952728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).