3-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol

C15H22ClNO2 — CID 103699903

IUPAC3-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
SMILESCOc1ccc(Cl)cc1CNCC1CCCC(O)C1
InChIInChI=1S/C15H22ClNO2/c1-19-15-6-5-13(16)8-12(15)10-17-9-11-3-2-4-14(18)7-11/h5-6,8,11,14,17-18H,2-4,7,9-10H2,1H3
InChIKeyIKWRUEQPMWARIQ-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.99
Rot. Bonds5

About 3-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol

3-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 103699903) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 3-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
PubChem CID103699903
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name3-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
SMILESCOc1ccc(Cl)cc1CNCC1CCCC(O)C1
InChIInChI=1S/C15H22ClNO2/c1-19-15-6-5-13(16)8-12(15)10-17-9-11-3-2-4-14(18)7-11/h5-6,8,11,14,17-18H,2-4,7,9-10H2,1H3
InChIKeyIKWRUEQPMWARIQ-UHFFFAOYSA-N
XLogP2.99
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270829
3-[[(2,4-dichlorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699917
N-[(5-chloro-2-methoxyphenyl)methyl]-2-cyclohexylethanamine
CID 63450398
3-[[(4-chlorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699808
3-[[(2-fluoro-5-methylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 113243257
3-[[(2-bromo-5-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 103828009
4-chloro-2-[[(3-hydroxycyclopentyl)methylamino]methyl]phenol
CID 103270835
4-[[(2,5-dimethoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 106125148
N-[(5-chloro-2-methoxyphenyl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine
CID 60855864
N-[(5-chloro-2-methoxyphenyl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine
CID 61208914
1-cyclobutyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine
CID 43298524
4-[[(2-methoxy-5-methylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 106126443

Frequently Asked Questions

What is the IUPAC name of 3-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 3-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol (CID 103699903) is 3-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol is COc1ccc(Cl)cc1CNCC1CCCC(O)C1.
What is the InChIKey of 3-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is IKWRUEQPMWARIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-19-15-6-5-13(16)8-12(15)10-17-9-11-3-2-4-14(18)7-11/h5-6,8,11,14,17-18H,2-4,7,9-10H2,1H3.
What are the key properties of 3-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol?
3-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol has a molecular weight of 283.80 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 103699903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).