2-[(3,4-dichlorophenyl)methylamino]propane-1,3-diol

C10H13Cl2NO2 — CID 65315014

IUPAC2-[(3,4-dichlorophenyl)methylamino]propane-1,3-diol
SMILESOCC(CO)NCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H13Cl2NO2/c11-9-2-1-7(3-10(9)12)4-13-8(5-14)6-15/h1-3,8,13-15H,4-6H2
InChIKeyBJPWIPQGTPQIPC-UHFFFAOYSA-N
MW250.12 g/mol
LogP1.44
Rot. Bonds5

About 2-[(3,4-dichlorophenyl)methylamino]propane-1,3-diol

2-[(3,4-dichlorophenyl)methylamino]propane-1,3-diol (PubChem CID 65315014) has the molecular formula C10H13Cl2NO2 and a molecular weight of 250.12 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)methylamino]propane-1,3-diol.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)methylamino]propane-1,3-diol
PubChem CID65315014
Molecular FormulaC10H13Cl2NO2
Molecular Weight250.12 g/mol
Exact Mass249.03
IUPAC Name2-[(3,4-dichlorophenyl)methylamino]propane-1,3-diol
SMILESOCC(CO)NCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H13Cl2NO2/c11-9-2-1-7(3-10(9)12)4-13-8(5-14)6-15/h1-3,8,13-15H,4-6H2
InChIKeyBJPWIPQGTPQIPC-UHFFFAOYSA-N
XLogP1.44
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.12
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-chloro-4-fluorophenyl)methylamino]butan-1-ol
CID 75355893
2-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol
CID 4719355
2-[(3,4-dibromophenyl)methylamino]propane-1,3-diol
CID 75525106
(2R)-2-[(4-chloro-3-fluorophenyl)methylamino]-3-phenylpropan-1-ol
CID 104922916
N-[(3,4-dichlorophenyl)methyl]butan-2-amine;hydrochloride
CID 17293997
2-(2,3-dihydro-1H-inden-5-ylmethylamino)propane-1,3-diol
CID 65314706
1-bromo-N-[(3,4-dichlorophenyl)methyl]propan-2-amine
CID 107859511
(2S)-2-[[3-chloro-4-[(3,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]butan-1-ol
CID 51995108
2-[(3,4-dichlorophenyl)methylamino]butanedioic acid
CID 82364632
2-[3-[(3,4-dichlorophenyl)methylamino]propylamino]ethanol
CID 17214269
[1-[(3,4-dichlorophenyl)methylamino]cyclopropyl]methanol
CID 115763060
1-(3,4-dichlorophenyl)-N-iodomethanamine
CID 126576131

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenyl)methylamino]propane-1,3-diol?
The IUPAC name of 2-[(3,4-dichlorophenyl)methylamino]propane-1,3-diol (CID 65315014) is 2-[(3,4-dichlorophenyl)methylamino]propane-1,3-diol.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)methylamino]propane-1,3-diol?
The canonical SMILES for 2-[(3,4-dichlorophenyl)methylamino]propane-1,3-diol is OCC(CO)NCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[(3,4-dichlorophenyl)methylamino]propane-1,3-diol?
The InChIKey is BJPWIPQGTPQIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NO2/c11-9-2-1-7(3-10(9)12)4-13-8(5-14)6-15/h1-3,8,13-15H,4-6H2.
What are the key properties of 2-[(3,4-dichlorophenyl)methylamino]propane-1,3-diol?
2-[(3,4-dichlorophenyl)methylamino]propane-1,3-diol has a molecular weight of 250.12 g/mol, XLogP of 1.44, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorophenyl)methylamino]propane-1,3-diol is sourced from PubChem (CID 65315014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).