3-[(4-chlorophenyl)methylamino]propan-1-ol;hydrochloride

C10H15Cl2NO — CID 47000639

IUPAC3-[(4-chlorophenyl)methylamino]propan-1-ol;hydrochloride
SMILESCl.OCCCNCc1ccc(Cl)cc1
InChIInChI=1S/C10H14ClNO.ClH/c11-10-4-2-9(3-5-10)8-12-6-1-7-13;/h2-5,12-13H,1,6-8H2;1H
InChIKeyFSIXTFKQYPGUQQ-UHFFFAOYSA-N
MW236.14 g/mol
LogP2.23
Rot. Bonds5

About 3-[(4-chlorophenyl)methylamino]propan-1-ol;hydrochloride

3-[(4-chlorophenyl)methylamino]propan-1-ol;hydrochloride (PubChem CID 47000639) has the molecular formula C10H15Cl2NO and a molecular weight of 236.14 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methylamino]propan-1-ol;hydrochloride.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methylamino]propan-1-ol;hydrochloride
PubChem CID47000639
Molecular FormulaC10H15Cl2NO
Molecular Weight236.14 g/mol
Exact Mass235.05
IUPAC Name3-[(4-chlorophenyl)methylamino]propan-1-ol;hydrochloride
SMILESCl.OCCCNCc1ccc(Cl)cc1
InChIInChI=1S/C10H14ClNO.ClH/c11-10-4-2-9(3-5-10)8-12-6-1-7-13;/h2-5,12-13H,1,6-8H2;1H
InChIKeyFSIXTFKQYPGUQQ-UHFFFAOYSA-N
XLogP2.23
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.14
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis[(4-chlorophenyl)methyl]butane-1,4-diamine
CID 131985015
5-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]pentan-1-ol
CID 17211516
N'-[(4-chlorophenyl)methyl]-N-ethylpropane-1,3-diamine
CID 17215378
N-[(4-chlorophenyl)methyl]-3-methoxypropan-1-amine;hydrochloride
CID 17206437
4-[(4-chlorophenyl)methylamino]butanamide
CID 60865007
3-[(4-chlorophenyl)methylamino]propane-1-sulfonic acid
CID 83329287
3-[(4-propylphenyl)methylamino]propan-1-ol
CID 94681283
4-[(4-chlorophenyl)methylamino]butane-1-sulfonic acid
CID 134087004
2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol
CID 4721972
N-[(4-chlorophenyl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride
CID 17206435
4-[[(4-chlorophenyl)methylamino]methyl]benzoic acid;hydrochloride
CID 6458865
4-[(3-hydroxypropylamino)methyl]benzene-1,2-diol
CID 28714440

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methylamino]propan-1-ol;hydrochloride?
The IUPAC name of 3-[(4-chlorophenyl)methylamino]propan-1-ol;hydrochloride (CID 47000639) is 3-[(4-chlorophenyl)methylamino]propan-1-ol;hydrochloride.
What is the SMILES notation for 3-[(4-chlorophenyl)methylamino]propan-1-ol;hydrochloride?
The canonical SMILES for 3-[(4-chlorophenyl)methylamino]propan-1-ol;hydrochloride is Cl.OCCCNCc1ccc(Cl)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)methylamino]propan-1-ol;hydrochloride?
The InChIKey is FSIXTFKQYPGUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO.ClH/c11-10-4-2-9(3-5-10)8-12-6-1-7-13;/h2-5,12-13H,1,6-8H2;1H.
What are the key properties of 3-[(4-chlorophenyl)methylamino]propan-1-ol;hydrochloride?
3-[(4-chlorophenyl)methylamino]propan-1-ol;hydrochloride has a molecular weight of 236.14 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methylamino]propan-1-ol;hydrochloride is sourced from PubChem (CID 47000639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).