4-[[(4-aminocyclohexyl)-ethylamino]methyl]-2-chlorophenol

C15H23ClN2O — CID 79115137

IUPAC4-[[(4-aminocyclohexyl)-ethylamino]methyl]-2-chlorophenol
SMILESCCN(Cc1ccc(O)c(Cl)c1)C1CCC(N)CC1
InChIInChI=1S/C15H23ClN2O/c1-2-18(13-6-4-12(17)5-7-13)10-11-3-8-15(19)14(16)9-11/h3,8-9,12-13,19H,2,4-7,10,17H2,1H3
InChIKeyHNBHDDNSJCZOCP-UHFFFAOYSA-N
MW282.81 g/mol
LogP3.14
Rot. Bonds4

About 4-[[(4-aminocyclohexyl)-ethylamino]methyl]-2-chlorophenol

4-[[(4-aminocyclohexyl)-ethylamino]methyl]-2-chlorophenol (PubChem CID 79115137) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 4-[[(4-aminocyclohexyl)-ethylamino]methyl]-2-chlorophenol.

Molecular Properties

Compound Name4-[[(4-aminocyclohexyl)-ethylamino]methyl]-2-chlorophenol
PubChem CID79115137
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name4-[[(4-aminocyclohexyl)-ethylamino]methyl]-2-chlorophenol
SMILESCCN(Cc1ccc(O)c(Cl)c1)C1CCC(N)CC1
InChIInChI=1S/C15H23ClN2O/c1-2-18(13-6-4-12(17)5-7-13)10-11-3-8-15(19)14(16)9-11/h3,8-9,12-13,19H,2,4-7,10,17H2,1H3
InChIKeyHNBHDDNSJCZOCP-UHFFFAOYSA-N
XLogP3.14
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-[(3,4-difluorophenyl)methyl]-4-N-ethylcyclohexane-1,4-diamine
CID 79116008
4-N-[(2-chloro-4-pyridinyl)methyl]-4-N-ethylcyclohexane-1,4-diamine
CID 79115783
4-N-[(4-bromo-3-methylphenyl)methyl]-4-N-ethylcyclohexane-1,4-diamine
CID 79115569
4-[[(4-aminocyclohexyl)-ethylamino]methyl]benzamide
CID 79115625
2-[[(4-aminocyclohexyl)-ethylamino]methyl]-4-methoxyphenol
CID 79115140
4-N-[(2-chloro-5-fluorophenyl)methyl]-4-N-ethylcyclohexane-1,4-diamine
CID 102617001
N-[(3,4-dichlorophenyl)methyl]-N-ethylpiperidin-4-amine
CID 54923832
2-chloro-4-[[cyclopentylmethyl(methyl)amino]methyl]phenol
CID 82980683
4-[[cyclopentyl(ethyl)amino]methyl]-2-ethoxyphenol
CID 82976563
2-chloro-4-[(dimethylamino)methyl]phenol
CID 4289948
N-[(2-chloro-4-pyridinyl)methyl]-N-ethylcyclopropanamine
CID 62301725
4-N-ethyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 79116173

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-aminocyclohexyl)-ethylamino]methyl]-2-chlorophenol?
The IUPAC name of 4-[[(4-aminocyclohexyl)-ethylamino]methyl]-2-chlorophenol (CID 79115137) is 4-[[(4-aminocyclohexyl)-ethylamino]methyl]-2-chlorophenol.
What is the SMILES notation for 4-[[(4-aminocyclohexyl)-ethylamino]methyl]-2-chlorophenol?
The canonical SMILES for 4-[[(4-aminocyclohexyl)-ethylamino]methyl]-2-chlorophenol is CCN(Cc1ccc(O)c(Cl)c1)C1CCC(N)CC1.
What is the InChIKey of 4-[[(4-aminocyclohexyl)-ethylamino]methyl]-2-chlorophenol?
The InChIKey is HNBHDDNSJCZOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-2-18(13-6-4-12(17)5-7-13)10-11-3-8-15(19)14(16)9-11/h3,8-9,12-13,19H,2,4-7,10,17H2,1H3.
What are the key properties of 4-[[(4-aminocyclohexyl)-ethylamino]methyl]-2-chlorophenol?
4-[[(4-aminocyclohexyl)-ethylamino]methyl]-2-chlorophenol has a molecular weight of 282.81 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-aminocyclohexyl)-ethylamino]methyl]-2-chlorophenol is sourced from PubChem (CID 79115137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).