3-[[(4-chlorophenyl)methylamino]methyl]cyclohexan-1-ol

C14H20ClNO — CID 103699808

IUPAC3-[[(4-chlorophenyl)methylamino]methyl]cyclohexan-1-ol
SMILESOC1CCCC(CNCc2ccc(Cl)cc2)C1
InChIInChI=1S/C14H20ClNO/c15-13-6-4-11(5-7-13)9-16-10-12-2-1-3-14(17)8-12/h4-7,12,14,16-17H,1-3,8-10H2
InChIKeyAEFMJLUIPKLUQN-UHFFFAOYSA-N
MW253.77 g/mol
LogP2.98
Rot. Bonds4

About 3-[[(4-chlorophenyl)methylamino]methyl]cyclohexan-1-ol

3-[[(4-chlorophenyl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 103699808) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 3-[[(4-chlorophenyl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[[(4-chlorophenyl)methylamino]methyl]cyclohexan-1-ol
PubChem CID103699808
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name3-[[(4-chlorophenyl)methylamino]methyl]cyclohexan-1-ol
SMILESOC1CCCC(CNCc2ccc(Cl)cc2)C1
InChIInChI=1S/C14H20ClNO/c15-13-6-4-11(5-7-13)9-16-10-12-2-1-3-14(17)8-12/h4-7,12,14,16-17H,1-3,8-10H2
InChIKeyAEFMJLUIPKLUQN-UHFFFAOYSA-N
XLogP2.98
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(4-iodophenyl)methylamino]methyl]cyclohexan-1-ol
CID 106132031
3-[[[4-(methoxymethyl)phenyl]methylamino]methyl]cyclohexan-1-ol
CID 103699801
3-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699915
3-[[(4-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699820
3-[[(3-bromo-4-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699874
3-[[(2,4-dichlorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699917
3-[[(3,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699898
3-[[(2-chloro-3-fluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 114147754
3-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699903
3-[[(4-fluorophenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270748
[3-[[[4-[[[3-(aminomethyl)cyclohexyl]methylamino]methyl]phenyl]methylamino]methyl]cyclohexyl]methanamine
CID 145151914
3-[(1H-indol-5-ylmethylamino)methyl]cyclohexan-1-ol
CID 106123504

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-chlorophenyl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 3-[[(4-chlorophenyl)methylamino]methyl]cyclohexan-1-ol (CID 103699808) is 3-[[(4-chlorophenyl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[[(4-chlorophenyl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[[(4-chlorophenyl)methylamino]methyl]cyclohexan-1-ol is OC1CCCC(CNCc2ccc(Cl)cc2)C1.
What is the InChIKey of 3-[[(4-chlorophenyl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is AEFMJLUIPKLUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c15-13-6-4-11(5-7-13)9-16-10-12-2-1-3-14(17)8-12/h4-7,12,14,16-17H,1-3,8-10H2.
What are the key properties of 3-[[(4-chlorophenyl)methylamino]methyl]cyclohexan-1-ol?
3-[[(4-chlorophenyl)methylamino]methyl]cyclohexan-1-ol has a molecular weight of 253.77 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-chlorophenyl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 103699808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).