4-chloro-2-[(cyclohexylmethylamino)methyl]phenol

C14H20ClNO — CID 25163929

IUPAC4-chloro-2-[(cyclohexylmethylamino)methyl]phenol
SMILESOc1ccc(Cl)cc1CNCC1CCCCC1
InChIInChI=1S/C14H20ClNO/c15-13-6-7-14(17)12(8-13)10-16-9-11-4-2-1-3-5-11/h6-8,11,16-17H,1-5,9-10H2
InChIKeyQJSMGPONVXQMHF-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.72
Rot. Bonds4

About 4-chloro-2-[(cyclohexylmethylamino)methyl]phenol

4-chloro-2-[(cyclohexylmethylamino)methyl]phenol (PubChem CID 25163929) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 4-chloro-2-[(cyclohexylmethylamino)methyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[(cyclohexylmethylamino)methyl]phenol
PubChem CID25163929
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name4-chloro-2-[(cyclohexylmethylamino)methyl]phenol
SMILESOc1ccc(Cl)cc1CNCC1CCCCC1
InChIInChI=1S/C14H20ClNO/c15-13-6-7-14(17)12(8-13)10-16-9-11-4-2-1-3-5-11/h6-8,11,16-17H,1-5,9-10H2
InChIKeyQJSMGPONVXQMHF-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-[[(2-hydroxycyclohexyl)methylamino]methyl]phenol
CID 64928657
1-cyclopentyl-N-[(2,4-dichlorophenyl)methyl]methanamine
CID 43317354
4-chloro-2-[[(3-hydroxycyclopentyl)methylamino]methyl]phenol
CID 103270835
2-[(cyclopentylmethylamino)methyl]phenol
CID 43370918
4-chloro-2-[[(1,1-dioxothiolan-3-yl)methylamino]methyl]phenol
CID 54915093
4-chloro-2-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]phenol
CID 60981639
4-chloro-2-[[[(1S)-1-cycloheptylethyl]amino]methyl]phenol
CID 81389866
N-[(5-chloro-2-fluorophenyl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 114842332
2-[[(4-aminocyclohexyl)amino]methyl]-4-chlorophenol
CID 55062770
1-cyclohexyl-N-[(3,5-dichlorophenyl)methyl]methanamine
CID 60789647
N-[(4-chloro-2-methylphenyl)methyl]-1-cyclopropylmethanamine
CID 104853922
N-[(2,4-dichlorophenyl)methyl]-1-[3-[[(2,4-dichlorophenyl)methylamino]methyl]cyclohexyl]methanamine;hexahydrochloride
CID 90665221

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(cyclohexylmethylamino)methyl]phenol?
The IUPAC name of 4-chloro-2-[(cyclohexylmethylamino)methyl]phenol (CID 25163929) is 4-chloro-2-[(cyclohexylmethylamino)methyl]phenol.
What is the SMILES notation for 4-chloro-2-[(cyclohexylmethylamino)methyl]phenol?
The canonical SMILES for 4-chloro-2-[(cyclohexylmethylamino)methyl]phenol is Oc1ccc(Cl)cc1CNCC1CCCCC1.
What is the InChIKey of 4-chloro-2-[(cyclohexylmethylamino)methyl]phenol?
The InChIKey is QJSMGPONVXQMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c15-13-6-7-14(17)12(8-13)10-16-9-11-4-2-1-3-5-11/h6-8,11,16-17H,1-5,9-10H2.
What are the key properties of 4-chloro-2-[(cyclohexylmethylamino)methyl]phenol?
4-chloro-2-[(cyclohexylmethylamino)methyl]phenol has a molecular weight of 253.77 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(cyclohexylmethylamino)methyl]phenol is sourced from PubChem (CID 25163929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).