(2-chlorophenyl)methyl-(3-hydroxypropyl)azanium

C10H15ClNO+ — CID 7018885

IUPAC(2-chlorophenyl)methyl-(3-hydroxypropyl)azanium
SMILESOCCC[NH2+]Cc1ccccc1Cl
InChIInChI=1S/C10H14ClNO/c11-10-5-2-1-4-9(10)8-12-6-3-7-13/h1-2,4-5,12-13H,3,6-8H2/p+1
InChIKeyDFDHIXJRENDGCN-UHFFFAOYSA-O
MW200.69 g/mol
LogP0.79
Rot. Bonds5

About (2-chlorophenyl)methyl-(3-hydroxypropyl)azanium

(2-chlorophenyl)methyl-(3-hydroxypropyl)azanium (PubChem CID 7018885) has the molecular formula C10H15ClNO+ and a molecular weight of 200.69 g/mol. Its IUPAC name is (2-chlorophenyl)methyl-(3-hydroxypropyl)azanium.

Molecular Properties

Compound Name(2-chlorophenyl)methyl-(3-hydroxypropyl)azanium
PubChem CID7018885
Molecular FormulaC10H15ClNO+
Molecular Weight200.69 g/mol
Exact Mass200.08
IUPAC Name(2-chlorophenyl)methyl-(3-hydroxypropyl)azanium
SMILESOCCC[NH2+]Cc1ccccc1Cl
InChIInChI=1S/C10H14ClNO/c11-10-5-2-1-4-9(10)8-12-6-3-7-13/h1-2,4-5,12-13H,3,6-8H2/p+1
InChIKeyDFDHIXJRENDGCN-UHFFFAOYSA-O
XLogP0.79
TPSA36.84 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.69
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2-chlorophenyl)methyl-(2-hydroxyethyl)azanium
CID 7018888
(2-chlorophenyl)methyl-[2-(2-methoxyphenyl)ethyl]azanium
CID 2235903
(2-chlorophenyl)methyl-[(2-methoxyphenyl)methyl]azanium
CID 7827742
(2-chlorophenyl)methyl-(3-ethoxy-3-oxopropyl)azanium
CID 4164983
(2-chlorophenyl)methyl-(pyridin-2-ylmethyl)azanium
CID 6964752
2-(2-chlorophenyl)ethanol;ethane
CID 142279480
(1R)-1,2-bis(2-chlorophenyl)ethanol
CID 86310638
(2-chlorophenyl)-dideuteriomethanol
CID 142596700
(2-chlorophenyl)methyl-(thiophen-3-ylmethyl)azanium
CID 8622999
(2-chlorophenyl)methyl-[(2-ethoxyphenyl)methyl]azanium
CID 7826978
3-[2-(2-chlorophenyl)-1-hydroxyethoxy]propan-1-ol
CID 174484313
3-[N-[(2-chlorophenyl)methyl]anilino]propan-1-ol;hydrochloride
CID 21414515

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)methyl-(3-hydroxypropyl)azanium?
The IUPAC name of (2-chlorophenyl)methyl-(3-hydroxypropyl)azanium (CID 7018885) is (2-chlorophenyl)methyl-(3-hydroxypropyl)azanium.
What is the SMILES notation for (2-chlorophenyl)methyl-(3-hydroxypropyl)azanium?
The canonical SMILES for (2-chlorophenyl)methyl-(3-hydroxypropyl)azanium is OCCC[NH2+]Cc1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)methyl-(3-hydroxypropyl)azanium?
The InChIKey is DFDHIXJRENDGCN-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H14ClNO/c11-10-5-2-1-4-9(10)8-12-6-3-7-13/h1-2,4-5,12-13H,3,6-8H2/p+1.
What are the key properties of (2-chlorophenyl)methyl-(3-hydroxypropyl)azanium?
(2-chlorophenyl)methyl-(3-hydroxypropyl)azanium has a molecular weight of 200.69 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)methyl-(3-hydroxypropyl)azanium is sourced from PubChem (CID 7018885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).