2-[1-(aminomethyl)cyclohexyl]-4-chloro-5-propan-2-ylphenol

C16H24ClNO — CID 117452768

IUPAC2-[1-(aminomethyl)cyclohexyl]-4-chloro-5-propan-2-ylphenol
SMILESCC(C)c1cc(O)c(C2(CN)CCCCC2)cc1Cl
InChIInChI=1S/C16H24ClNO/c1-11(2)12-8-15(19)13(9-14(12)17)16(10-18)6-4-3-5-7-16/h8-9,11,19H,3-7,10,18H2,1-2H3
InChIKeyKJYQNJMUBBJEPP-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.33
Rot. Bonds3

About 2-[1-(aminomethyl)cyclohexyl]-4-chloro-5-propan-2-ylphenol

2-[1-(aminomethyl)cyclohexyl]-4-chloro-5-propan-2-ylphenol (PubChem CID 117452768) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-4-chloro-5-propan-2-ylphenol.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-4-chloro-5-propan-2-ylphenol
PubChem CID117452768
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-4-chloro-5-propan-2-ylphenol
SMILESCC(C)c1cc(O)c(C2(CN)CCCCC2)cc1Cl
InChIInChI=1S/C16H24ClNO/c1-11(2)12-8-15(19)13(9-14(12)17)16(10-18)6-4-3-5-7-16/h8-9,11,19H,3-7,10,18H2,1-2H3
InChIKeyKJYQNJMUBBJEPP-UHFFFAOYSA-N
XLogP4.33
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(aminomethyl)cyclopentyl]-5-chloro-4-methoxyphenol
CID 117392957
4-[1-(aminomethyl)cyclohexyl]-2-chloro-5-fluorophenol
CID 117397912
2-[1-(aminomethyl)cyclopentyl]-5-methylbenzene-1,4-diol
CID 117316086
2-[1-(aminomethyl)cyclopentyl]-4-chlorophenol
CID 131368937
2-[1-(aminomethyl)cyclohexyl]-4-methylphenol
CID 82615959
2-[1-(aminomethyl)cyclopentyl]-5-chlorophenol
CID 131279076
2-[1-(aminomethyl)cyclopentyl]-4,5-difluorophenol
CID 84791404
[1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclopentyl]methanamine
CID 117444927
2-[1-(aminomethyl)cyclohexyl]-5-(difluoromethyl)phenol
CID 117391271
3-[1-(aminomethyl)cyclopentyl]-2-chloro-5-methylphenol
CID 117352123
2-[1-(aminomethyl)cyclohexyl]-4-methoxy-5-methylphenol
CID 117377399
[1-[2,5-di(propan-2-yl)phenyl]cyclobutyl]methanamine
CID 117366355

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-4-chloro-5-propan-2-ylphenol?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-4-chloro-5-propan-2-ylphenol (CID 117452768) is 2-[1-(aminomethyl)cyclohexyl]-4-chloro-5-propan-2-ylphenol.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-4-chloro-5-propan-2-ylphenol?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-4-chloro-5-propan-2-ylphenol is CC(C)c1cc(O)c(C2(CN)CCCCC2)cc1Cl.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-4-chloro-5-propan-2-ylphenol?
The InChIKey is KJYQNJMUBBJEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-11(2)12-8-15(19)13(9-14(12)17)16(10-18)6-4-3-5-7-16/h8-9,11,19H,3-7,10,18H2,1-2H3.
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-4-chloro-5-propan-2-ylphenol?
2-[1-(aminomethyl)cyclohexyl]-4-chloro-5-propan-2-ylphenol has a molecular weight of 281.83 g/mol, XLogP of 4.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]-4-chloro-5-propan-2-ylphenol is sourced from PubChem (CID 117452768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).