1-chloro-3-(propylamino)propan-2-ol

C6H14ClNO — CID 55301925

IUPAC1-chloro-3-(propylamino)propan-2-ol
SMILESCCCNCC(O)CCl
InChIInChI=1S/C6H14ClNO/c1-2-3-8-5-6(9)4-7/h6,8-9H,2-5H2,1H3
InChIKeyRMLUHSOTPMRODI-UHFFFAOYSA-N
MW151.64 g/mol
LogP0.59
Rot. Bonds5

About 1-chloro-3-(propylamino)propan-2-ol

1-chloro-3-(propylamino)propan-2-ol (PubChem CID 55301925) has the molecular formula C6H14ClNO and a molecular weight of 151.64 g/mol. Its IUPAC name is 1-chloro-3-(propylamino)propan-2-ol.

Molecular Properties

Compound Name1-chloro-3-(propylamino)propan-2-ol
PubChem CID55301925
Molecular FormulaC6H14ClNO
Molecular Weight151.64 g/mol
Exact Mass151.08
IUPAC Name1-chloro-3-(propylamino)propan-2-ol
SMILESCCCNCC(O)CCl
InChIInChI=1S/C6H14ClNO/c1-2-3-8-5-6(9)4-7/h6,8-9H,2-5H2,1H3
InChIKeyRMLUHSOTPMRODI-UHFFFAOYSA-N
XLogP0.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.64
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethylsulfanyl-3-(propylamino)propan-2-ol
CID 43166422
1-ethoxy-3-(propylamino)propan-2-ol
CID 15683481
1-(propylamino)hexadecan-2-ol
CID 88695975
ethane;1-propoxy-3-(propylamino)propan-2-ol
CID 90907979
1-tert-butylsulfinyl-3-(propylamino)propan-2-ol
CID 115476964
1-pentoxy-3-(propylamino)propan-2-ol
CID 43275105
1-(4-ethylpiperazin-1-yl)-3-(propylamino)propan-2-ol
CID 43165810
1-[butyl(methyl)amino]-3-(propylamino)propan-2-ol
CID 43165832
1-(butylamino)-3-(dimethylamino)propan-2-ol
CID 60897874
6-(propylamino)hexane-1,2,4,5-tetrol
CID 123530064
2-methyl-N-propylpropan-1-amine
CID 520943
2-[(3-chloro-2-hydroxypropyl)amino]ethane-1,1,1-triol;hydrochloride
CID 174564239

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(propylamino)propan-2-ol?
The IUPAC name of 1-chloro-3-(propylamino)propan-2-ol (CID 55301925) is 1-chloro-3-(propylamino)propan-2-ol.
What is the SMILES notation for 1-chloro-3-(propylamino)propan-2-ol?
The canonical SMILES for 1-chloro-3-(propylamino)propan-2-ol is CCCNCC(O)CCl.
What is the InChIKey of 1-chloro-3-(propylamino)propan-2-ol?
The InChIKey is RMLUHSOTPMRODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14ClNO/c1-2-3-8-5-6(9)4-7/h6,8-9H,2-5H2,1H3.
What are the key properties of 1-chloro-3-(propylamino)propan-2-ol?
1-chloro-3-(propylamino)propan-2-ol has a molecular weight of 151.64 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(propylamino)propan-2-ol is sourced from PubChem (CID 55301925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).