N-[(4-chlorocyclohexyl)methyl]-2-(2-methoxyphenoxy)ethanamine

C16H24ClNO2 — CID 106123587

IUPACN-[(4-chlorocyclohexyl)methyl]-2-(2-methoxyphenoxy)ethanamine
SMILESCOc1ccccc1OCCNCC1CCC(Cl)CC1
InChIInChI=1S/C16H24ClNO2/c1-19-15-4-2-3-5-16(15)20-11-10-18-12-13-6-8-14(17)9-7-13/h2-5,13-14,18H,6-12H2,1H3
InChIKeyCDVRKOQCRHWPKA-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.46
Rot. Bonds7

About N-[(4-chlorocyclohexyl)methyl]-2-(2-methoxyphenoxy)ethanamine

N-[(4-chlorocyclohexyl)methyl]-2-(2-methoxyphenoxy)ethanamine (PubChem CID 106123587) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is N-[(4-chlorocyclohexyl)methyl]-2-(2-methoxyphenoxy)ethanamine.

Molecular Properties

Compound NameN-[(4-chlorocyclohexyl)methyl]-2-(2-methoxyphenoxy)ethanamine
PubChem CID106123587
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC NameN-[(4-chlorocyclohexyl)methyl]-2-(2-methoxyphenoxy)ethanamine
SMILESCOc1ccccc1OCCNCC1CCC(Cl)CC1
InChIInChI=1S/C16H24ClNO2/c1-19-15-4-2-3-5-16(15)20-11-10-18-12-13-6-8-14(17)9-7-13/h2-5,13-14,18H,6-12H2,1H3
InChIKeyCDVRKOQCRHWPKA-UHFFFAOYSA-N
XLogP3.46
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclohex-3-en-1-ylmethyl)-2-(2-methoxyphenoxy)ethanamine
CID 60663419
4-[[2-(2-ethoxyphenoxy)ethylamino]methyl]cyclohexan-1-ol
CID 106133459
N-[(1,1-dioxothiolan-2-yl)methyl]-2-(2-methoxyphenoxy)ethanamine
CID 81039512
oxalic acid;trans-(1R,5R)-5-[[2-(2-methoxyphenoxy)ethylamino]methyl]-2,2-diphenylcyclopentan-1-ol
CID 56946682
N-cyclopropyl-4-[2-(2-methoxyphenoxy)ethylamino]butanamide
CID 79379590
2-(2-methoxyphenoxy)-N-[[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]methyl]ethanamine;dihydrochloride
CID 19749602
1-cyclopropyl-3-[2-(2-methoxyphenoxy)ethyl]urea
CID 47127459
1-[2-(2-methoxyphenoxy)ethylamino]-2-methylpropan-2-ol
CID 63239759
1-cyclopropyl-2-(2-methoxyphenoxy)ethanone
CID 63914033
2-[2-(2-methoxyphenoxy)ethylamino]cyclohexan-1-ol
CID 60714828
methyl 2-iodo-3-[2-(2-methoxyphenoxy)ethylamino]propanoate
CID 103492017
N-ethyl-2-[2-(2-methoxyphenoxy)ethylamino]acetamide
CID 60672629

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorocyclohexyl)methyl]-2-(2-methoxyphenoxy)ethanamine?
The IUPAC name of N-[(4-chlorocyclohexyl)methyl]-2-(2-methoxyphenoxy)ethanamine (CID 106123587) is N-[(4-chlorocyclohexyl)methyl]-2-(2-methoxyphenoxy)ethanamine.
What is the SMILES notation for N-[(4-chlorocyclohexyl)methyl]-2-(2-methoxyphenoxy)ethanamine?
The canonical SMILES for N-[(4-chlorocyclohexyl)methyl]-2-(2-methoxyphenoxy)ethanamine is COc1ccccc1OCCNCC1CCC(Cl)CC1.
What is the InChIKey of N-[(4-chlorocyclohexyl)methyl]-2-(2-methoxyphenoxy)ethanamine?
The InChIKey is CDVRKOQCRHWPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-19-15-4-2-3-5-16(15)20-11-10-18-12-13-6-8-14(17)9-7-13/h2-5,13-14,18H,6-12H2,1H3.
What are the key properties of N-[(4-chlorocyclohexyl)methyl]-2-(2-methoxyphenoxy)ethanamine?
N-[(4-chlorocyclohexyl)methyl]-2-(2-methoxyphenoxy)ethanamine has a molecular weight of 297.83 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorocyclohexyl)methyl]-2-(2-methoxyphenoxy)ethanamine is sourced from PubChem (CID 106123587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).