2-[[(4-aminocyclohexyl)-ethylamino]methyl]-4-chloro-6-methoxyphenol

C16H25ClN2O2 — CID 104666546

IUPAC2-[[(4-aminocyclohexyl)-ethylamino]methyl]-4-chloro-6-methoxyphenol
SMILESCCN(Cc1cc(Cl)cc(OC)c1O)C1CCC(N)CC1
InChIInChI=1S/C16H25ClN2O2/c1-3-19(14-6-4-13(18)5-7-14)10-11-8-12(17)9-15(21-2)16(11)20/h8-9,13-14,20H,3-7,10,18H2,1-2H3
InChIKeyHQMZCYFUSBGJIN-UHFFFAOYSA-N
MW312.84 g/mol
LogP3.15
Rot. Bonds5

About 2-[[(4-aminocyclohexyl)-ethylamino]methyl]-4-chloro-6-methoxyphenol

2-[[(4-aminocyclohexyl)-ethylamino]methyl]-4-chloro-6-methoxyphenol (PubChem CID 104666546) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 2-[[(4-aminocyclohexyl)-ethylamino]methyl]-4-chloro-6-methoxyphenol.

Molecular Properties

Compound Name2-[[(4-aminocyclohexyl)-ethylamino]methyl]-4-chloro-6-methoxyphenol
PubChem CID104666546
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name2-[[(4-aminocyclohexyl)-ethylamino]methyl]-4-chloro-6-methoxyphenol
SMILESCCN(Cc1cc(Cl)cc(OC)c1O)C1CCC(N)CC1
InChIInChI=1S/C16H25ClN2O2/c1-3-19(14-6-4-13(18)5-7-14)10-11-8-12(17)9-15(21-2)16(11)20/h8-9,13-14,20H,3-7,10,18H2,1-2H3
InChIKeyHQMZCYFUSBGJIN-UHFFFAOYSA-N
XLogP3.15
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[[(4-aminocyclohexyl)-ethylamino]methyl]-6-methoxyphenol
CID 79115913
4-N-ethyl-4-N-[(5-fluoro-2-methoxyphenyl)methyl]cyclohexane-1,4-diamine
CID 79115454
2-[[(4-aminocyclohexyl)-ethylamino]methyl]-4-methoxyphenol
CID 79115140
4-N-[(2-chloro-5-fluorophenyl)methyl]-4-N-ethylcyclohexane-1,4-diamine
CID 102617001
4-chloro-2-methoxy-6-[[methyl(oxan-4-yl)amino]methyl]phenol
CID 104643527
4-chloro-2-methoxy-6-[[methyl(oxan-4-ylmethyl)amino]methyl]phenol
CID 104645244
3-[[cyclopropyl(ethyl)amino]methyl]-4-methoxyaniline
CID 43263758
2-[[cyclopentyl(ethyl)amino]methyl]-6-methoxyphenol
CID 82977158
4-chloro-2-methoxy-6-[[methyl(pentan-3-yl)amino]methyl]phenol
CID 113436169
4-[[(4-aminocyclohexyl)-ethylamino]methyl]-2-chlorophenol
CID 79115137
4-chloro-2-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]-6-methoxyphenol
CID 104637884
2-[carboxymethyl-[(5-chloro-2-hydroxy-3-methoxyphenyl)methyl]amino]acetic acid
CID 104667211

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-aminocyclohexyl)-ethylamino]methyl]-4-chloro-6-methoxyphenol?
The IUPAC name of 2-[[(4-aminocyclohexyl)-ethylamino]methyl]-4-chloro-6-methoxyphenol (CID 104666546) is 2-[[(4-aminocyclohexyl)-ethylamino]methyl]-4-chloro-6-methoxyphenol.
What is the SMILES notation for 2-[[(4-aminocyclohexyl)-ethylamino]methyl]-4-chloro-6-methoxyphenol?
The canonical SMILES for 2-[[(4-aminocyclohexyl)-ethylamino]methyl]-4-chloro-6-methoxyphenol is CCN(Cc1cc(Cl)cc(OC)c1O)C1CCC(N)CC1.
What is the InChIKey of 2-[[(4-aminocyclohexyl)-ethylamino]methyl]-4-chloro-6-methoxyphenol?
The InChIKey is HQMZCYFUSBGJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O2/c1-3-19(14-6-4-13(18)5-7-14)10-11-8-12(17)9-15(21-2)16(11)20/h8-9,13-14,20H,3-7,10,18H2,1-2H3.
What are the key properties of 2-[[(4-aminocyclohexyl)-ethylamino]methyl]-4-chloro-6-methoxyphenol?
2-[[(4-aminocyclohexyl)-ethylamino]methyl]-4-chloro-6-methoxyphenol has a molecular weight of 312.84 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-aminocyclohexyl)-ethylamino]methyl]-4-chloro-6-methoxyphenol is sourced from PubChem (CID 104666546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).