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

C11H14ClNO2 — CID 115763018

IUPAC4-chloro-2-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]phenol
SMILESOCC1(NCc2cc(Cl)ccc2O)CC1
InChIInChI=1S/C11H14ClNO2/c12-9-1-2-10(15)8(5-9)6-13-11(7-14)3-4-11/h1-2,5,13-15H,3-4,6-7H2
InChIKeyFNZMIRHFEZNSHF-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.66
Rot. Bonds4

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

4-chloro-2-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]phenol (PubChem CID 115763018) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 4-chloro-2-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]phenol
PubChem CID115763018
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name4-chloro-2-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]phenol
SMILESOCC1(NCc2cc(Cl)ccc2O)CC1
InChIInChI=1S/C11H14ClNO2/c12-9-1-2-10(15)8(5-9)6-13-11(7-14)3-4-11/h1-2,5,13-15H,3-4,6-7H2
InChIKeyFNZMIRHFEZNSHF-UHFFFAOYSA-N
XLogP1.66
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.66
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)cyclobutyl]amino]methyl]phenol
CID 115733344
4-chloro-2-[[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]methyl]phenol
CID 62552329
[1-[(4-chloro-2-methylphenyl)methylamino]cyclopropyl]methanol
CID 86815624
[1-[(5-chloro-2-methoxyphenyl)methylamino]-4-methylcyclohexyl]methanol
CID 62552157
[1-[(2,4,5-trifluorophenyl)methylamino]cyclopropyl]methanol
CID 115763151
2-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]-4-methoxyphenol
CID 62526041
[1-[(5-chloro-2-nitrophenyl)methylamino]-4-methylcyclohexyl]methanol
CID 79556482
[1-[(2,5-dichlorophenyl)methylamino]-3-methylcyclohexyl]methanol
CID 65316349
[1-[(3,4-dichlorophenyl)methylamino]cyclopropyl]methanol
CID 115763060
[(5-chloro-2-hydroxyphenyl)methylamino]carbamic acid
CID 123714049
4-chloro-2-[[2-(2-hydroxyethylamino)ethylamino]methyl]phenol
CID 139241738
4-chloro-2-[(cyclohex-2-en-1-ylamino)methyl]phenol
CID 115693366

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]phenol?
The IUPAC name of 4-chloro-2-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]phenol (CID 115763018) is 4-chloro-2-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]phenol.
What is the SMILES notation for 4-chloro-2-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]phenol?
The canonical SMILES for 4-chloro-2-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]phenol is OCC1(NCc2cc(Cl)ccc2O)CC1.
What is the InChIKey of 4-chloro-2-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]phenol?
The InChIKey is FNZMIRHFEZNSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c12-9-1-2-10(15)8(5-9)6-13-11(7-14)3-4-11/h1-2,5,13-15H,3-4,6-7H2.
What are the key properties of 4-chloro-2-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]phenol?
4-chloro-2-[[[1-(hydroxymethyl)cyclopropyl]amino]methyl]phenol has a molecular weight of 227.69 g/mol, XLogP of 1.66, 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)cyclopropyl]amino]methyl]phenol is sourced from PubChem (CID 115763018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).