4-chloro-2-[[[1-(hydroxymethyl)cyclobutyl]amino]methyl]phenol

C12H16ClNO2 — CID 115733344

IUPAC4-chloro-2-[[[1-(hydroxymethyl)cyclobutyl]amino]methyl]phenol
SMILESOCC1(NCc2cc(Cl)ccc2O)CCC1
InChIInChI=1S/C12H16ClNO2/c13-10-2-3-11(16)9(6-10)7-14-12(8-15)4-1-5-12/h2-3,6,14-16H,1,4-5,7-8H2
InChIKeyCNETUTCRAYPMJN-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.05
Rot. Bonds4

About 4-chloro-2-[[[1-(hydroxymethyl)cyclobutyl]amino]methyl]phenol

4-chloro-2-[[[1-(hydroxymethyl)cyclobutyl]amino]methyl]phenol (PubChem CID 115733344) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 4-chloro-2-[[[1-(hydroxymethyl)cyclobutyl]amino]methyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[[[1-(hydroxymethyl)cyclobutyl]amino]methyl]phenol
PubChem CID115733344
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name4-chloro-2-[[[1-(hydroxymethyl)cyclobutyl]amino]methyl]phenol
SMILESOCC1(NCc2cc(Cl)ccc2O)CCC1
InChIInChI=1S/C12H16ClNO2/c13-10-2-3-11(16)9(6-10)7-14-12(8-15)4-1-5-12/h2-3,6,14-16H,1,4-5,7-8H2
InChIKeyCNETUTCRAYPMJN-UHFFFAOYSA-N
XLogP2.05
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]phenol
CID 115763018
4-chloro-2-[[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]methyl]phenol
CID 62552329
[1-[(4-chloro-2-methylphenyl)methylamino]cyclopropyl]methanol
CID 86815624
2-chloro-6-[[[1-(hydroxymethyl)cyclobutyl]amino]methyl]phenol
CID 115924196
6-[[[1-(hydroxymethyl)cyclobutyl]amino]methyl]-1,3-benzodioxol-5-ol
CID 115733393
[1-[(2,5-dichlorophenyl)methylamino]-3-methylcyclohexyl]methanol
CID 65316349
[1-[(4-bromo-2-chlorophenyl)methylamino]cyclopentyl]methanol
CID 115683768
[1-[(4-bromo-2-fluorophenyl)methylamino]cyclobutyl]methanol
CID 115733345
2-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]-4-methoxyphenol
CID 62526041
[1-[(5-chloro-2-methoxyphenyl)methylamino]-4-methylcyclohexyl]methanol
CID 62552157
6-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]-1,3-benzodioxol-5-ol
CID 62521859
[1-[(3,5-dichloro-2-methoxyphenyl)methylamino]cyclopentyl]methanol
CID 75494808

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[[1-(hydroxymethyl)cyclobutyl]amino]methyl]phenol?
The IUPAC name of 4-chloro-2-[[[1-(hydroxymethyl)cyclobutyl]amino]methyl]phenol (CID 115733344) is 4-chloro-2-[[[1-(hydroxymethyl)cyclobutyl]amino]methyl]phenol.
What is the SMILES notation for 4-chloro-2-[[[1-(hydroxymethyl)cyclobutyl]amino]methyl]phenol?
The canonical SMILES for 4-chloro-2-[[[1-(hydroxymethyl)cyclobutyl]amino]methyl]phenol is OCC1(NCc2cc(Cl)ccc2O)CCC1.
What is the InChIKey of 4-chloro-2-[[[1-(hydroxymethyl)cyclobutyl]amino]methyl]phenol?
The InChIKey is CNETUTCRAYPMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c13-10-2-3-11(16)9(6-10)7-14-12(8-15)4-1-5-12/h2-3,6,14-16H,1,4-5,7-8H2.
What are the key properties of 4-chloro-2-[[[1-(hydroxymethyl)cyclobutyl]amino]methyl]phenol?
4-chloro-2-[[[1-(hydroxymethyl)cyclobutyl]amino]methyl]phenol has a molecular weight of 241.72 g/mol, XLogP of 2.05, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[[1-(hydroxymethyl)cyclobutyl]amino]methyl]phenol is sourced from PubChem (CID 115733344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).