1-[2-[(3-chlorophenyl)methylamino]ethylamino]propan-2-ol

C12H19ClN2O — CID 4719833

IUPAC1-[2-[(3-chlorophenyl)methylamino]ethylamino]propan-2-ol
SMILESCC(O)CNCCNCc1cccc(Cl)c1
InChIInChI=1S/C12H19ClN2O/c1-10(16)8-14-5-6-15-9-11-3-2-4-12(13)7-11/h2-4,7,10,14-16H,5-6,8-9H2,1H3
InChIKeyHAJZPFSRNPYYRZ-UHFFFAOYSA-N
MW242.75 g/mol
LogP1.40
Rot. Bonds7

About 1-[2-[(3-chlorophenyl)methylamino]ethylamino]propan-2-ol

1-[2-[(3-chlorophenyl)methylamino]ethylamino]propan-2-ol (PubChem CID 4719833) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is 1-[2-[(3-chlorophenyl)methylamino]ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-[2-[(3-chlorophenyl)methylamino]ethylamino]propan-2-ol
PubChem CID4719833
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC Name1-[2-[(3-chlorophenyl)methylamino]ethylamino]propan-2-ol
SMILESCC(O)CNCCNCc1cccc(Cl)c1
InChIInChI=1S/C12H19ClN2O/c1-10(16)8-14-5-6-15-9-11-3-2-4-12(13)7-11/h2-4,7,10,14-16H,5-6,8-9H2,1H3
InChIKeyHAJZPFSRNPYYRZ-UHFFFAOYSA-N
XLogP1.40
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[(4-chlorophenyl)methylamino]ethylamino]propan-2-ol;dihydrochloride
CID 17294470
1-[2-[(3-methoxyphenyl)methylamino]ethylamino]propan-2-ol
CID 4721134
N-[(3-chlorophenyl)methyl]-3-methylbutan-1-amine;hydrochloride
CID 17206859
1-[(3-chlorophenyl)methylamino]-4-methylpentan-2-ol;hydrochloride
CID 115598038
N-[(3-chlorophenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64570853
N-[2-[(3-chlorophenyl)methylamino]ethyl]acetamide
CID 28710214
(2S)-1-[(3,5-dichlorophenyl)methylamino]propan-2-ol
CID 93304494
4-[(3-chlorophenyl)methylamino]-3-methylbutan-1-ol
CID 66089910
(2S)-1-[[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]propan-2-ol
CID 51997058
(2R)-1-[(3-chlorophenyl)methylamino]-3-propan-2-yloxypropan-2-ol
CID 94611679
N-[(3-chlorophenyl)methyl]-2,3,3-trimethylbutan-1-amine
CID 83142139
N-[(3-chlorophenyl)methyl]-2-fluoroethanamine
CID 80694369

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-chlorophenyl)methylamino]ethylamino]propan-2-ol?
The IUPAC name of 1-[2-[(3-chlorophenyl)methylamino]ethylamino]propan-2-ol (CID 4719833) is 1-[2-[(3-chlorophenyl)methylamino]ethylamino]propan-2-ol.
What is the SMILES notation for 1-[2-[(3-chlorophenyl)methylamino]ethylamino]propan-2-ol?
The canonical SMILES for 1-[2-[(3-chlorophenyl)methylamino]ethylamino]propan-2-ol is CC(O)CNCCNCc1cccc(Cl)c1.
What is the InChIKey of 1-[2-[(3-chlorophenyl)methylamino]ethylamino]propan-2-ol?
The InChIKey is HAJZPFSRNPYYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O/c1-10(16)8-14-5-6-15-9-11-3-2-4-12(13)7-11/h2-4,7,10,14-16H,5-6,8-9H2,1H3.
What are the key properties of 1-[2-[(3-chlorophenyl)methylamino]ethylamino]propan-2-ol?
1-[2-[(3-chlorophenyl)methylamino]ethylamino]propan-2-ol has a molecular weight of 242.75 g/mol, XLogP of 1.40, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-chlorophenyl)methylamino]ethylamino]propan-2-ol is sourced from PubChem (CID 4719833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).