3-[N-[(2-chlorophenyl)methyl]anilino]propan-1-ol;hydrochloride

C16H19Cl2NO — CID 21414515

IUPAC3-[N-[(2-chlorophenyl)methyl]anilino]propan-1-ol;hydrochloride
SMILESCl.OCCCN(Cc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C16H18ClNO.ClH/c17-16-10-5-4-7-14(16)13-18(11-6-12-19)15-8-2-1-3-9-15;/h1-5,7-10,19H,6,11-13H2;1H
InChIKeyIIHBZDSVTOTFOY-UHFFFAOYSA-N
MW312.24 g/mol
LogP4.15
Rot. Bonds6

About 3-[N-[(2-chlorophenyl)methyl]anilino]propan-1-ol;hydrochloride

3-[N-[(2-chlorophenyl)methyl]anilino]propan-1-ol;hydrochloride (PubChem CID 21414515) has the molecular formula C16H19Cl2NO and a molecular weight of 312.24 g/mol. Its IUPAC name is 3-[N-[(2-chlorophenyl)methyl]anilino]propan-1-ol;hydrochloride.

Molecular Properties

Compound Name3-[N-[(2-chlorophenyl)methyl]anilino]propan-1-ol;hydrochloride
PubChem CID21414515
Molecular FormulaC16H19Cl2NO
Molecular Weight312.24 g/mol
Exact Mass311.08
IUPAC Name3-[N-[(2-chlorophenyl)methyl]anilino]propan-1-ol;hydrochloride
SMILESCl.OCCCN(Cc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C16H18ClNO.ClH/c17-16-10-5-4-7-14(16)13-18(11-6-12-19)15-8-2-1-3-9-15;/h1-5,7-10,19H,6,11-13H2;1H
InChIKeyIIHBZDSVTOTFOY-UHFFFAOYSA-N
XLogP4.15
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[(2-chlorophenyl)methyl]-N'-phenylethane-1,2-diamine
CID 28771174
3-[N-[(6-chloro-3-pyridinyl)methyl]anilino]propan-1-ol
CID 111859985
3-(N-propylanilino)propan-1-ol
CID 101291000
3-[4-[bis(3-hydroxypropyl)amino]-N-(3-hydroxypropyl)anilino]propan-1-ol
CID 67533016
N'-[(2-chlorophenyl)methyl]-N'-(4-methylphenyl)ethane-1,2-diamine
CID 28771393
2-[butyl-[(2-chlorophenyl)methyl]amino]ethanol
CID 60689529
N,N-bis[(2-chlorophenyl)methyl]hydroxylamine
CID 54059227
3-[N-[(2,4-dichlorophenyl)methyl]anilino]propanoic acid
CID 60839245
2-(2-chlorophenyl)-N,N-diphenylacetamide
CID 54344934
4-chloro-2-[[N-[2-(3-hydroxypropylamino)ethyl]anilino]methyl]benzonitrile
CID 170226845
3-[N-[(3-chloro-2-fluorophenyl)methyl]anilino]propanimidamide
CID 102856088
6-[N-(3-aminopropyl)anilino]hexan-1-ol
CID 107702923

Frequently Asked Questions

What is the IUPAC name of 3-[N-[(2-chlorophenyl)methyl]anilino]propan-1-ol;hydrochloride?
The IUPAC name of 3-[N-[(2-chlorophenyl)methyl]anilino]propan-1-ol;hydrochloride (CID 21414515) is 3-[N-[(2-chlorophenyl)methyl]anilino]propan-1-ol;hydrochloride.
What is the SMILES notation for 3-[N-[(2-chlorophenyl)methyl]anilino]propan-1-ol;hydrochloride?
The canonical SMILES for 3-[N-[(2-chlorophenyl)methyl]anilino]propan-1-ol;hydrochloride is Cl.OCCCN(Cc1ccccc1Cl)c1ccccc1.
What is the InChIKey of 3-[N-[(2-chlorophenyl)methyl]anilino]propan-1-ol;hydrochloride?
The InChIKey is IIHBZDSVTOTFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO.ClH/c17-16-10-5-4-7-14(16)13-18(11-6-12-19)15-8-2-1-3-9-15;/h1-5,7-10,19H,6,11-13H2;1H.
What are the key properties of 3-[N-[(2-chlorophenyl)methyl]anilino]propan-1-ol;hydrochloride?
3-[N-[(2-chlorophenyl)methyl]anilino]propan-1-ol;hydrochloride has a molecular weight of 312.24 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-[(2-chlorophenyl)methyl]anilino]propan-1-ol;hydrochloride is sourced from PubChem (CID 21414515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).