1-[(2-chlorophenyl)methoxy]-3-(5-methylhexylamino)propan-2-ol

C17H28ClNO2 — CID 115325367

IUPAC1-[(2-chlorophenyl)methoxy]-3-(5-methylhexylamino)propan-2-ol
SMILESCC(C)CCCCNCC(O)COCc1ccccc1Cl
InChIInChI=1S/C17H28ClNO2/c1-14(2)7-5-6-10-19-11-16(20)13-21-12-15-8-3-4-9-17(15)18/h3-4,8-9,14,16,19-20H,5-7,10-13H2,1-2H3
InChIKeyRHWRPRPBZKJLNY-UHFFFAOYSA-N
MW313.87 g/mol
LogP3.63
Rot. Bonds11

About 1-[(2-chlorophenyl)methoxy]-3-(5-methylhexylamino)propan-2-ol

1-[(2-chlorophenyl)methoxy]-3-(5-methylhexylamino)propan-2-ol (PubChem CID 115325367) has the molecular formula C17H28ClNO2 and a molecular weight of 313.87 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methoxy]-3-(5-methylhexylamino)propan-2-ol.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methoxy]-3-(5-methylhexylamino)propan-2-ol
PubChem CID115325367
Molecular FormulaC17H28ClNO2
Molecular Weight313.87 g/mol
Exact Mass313.18
IUPAC Name1-[(2-chlorophenyl)methoxy]-3-(5-methylhexylamino)propan-2-ol
SMILESCC(C)CCCCNCC(O)COCc1ccccc1Cl
InChIInChI=1S/C17H28ClNO2/c1-14(2)7-5-6-10-19-11-16(20)13-21-12-15-8-3-4-9-17(15)18/h3-4,8-9,14,16,19-20H,5-7,10-13H2,1-2H3
InChIKeyRHWRPRPBZKJLNY-UHFFFAOYSA-N
XLogP3.63
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.87
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-[(2-chlorophenyl)methoxy]-3-[2-(2-hydroxyethoxy)ethylamino]propan-2-ol
CID 7998352
(2R)-1-[(2-chlorophenyl)methoxy]-3-[[(2R)-heptan-2-yl]amino]propan-2-ol
CID 40654769
1-[(2-chlorophenyl)methoxy]-3-(2-methylprop-2-enylamino)propan-2-ol
CID 114616799
1-(butan-2-ylamino)-3-[(2-chlorophenyl)methoxy]propan-2-ol
CID 60633320
1-[(2-chlorophenyl)methoxy]-3-[methyl(2-methylpropyl)amino]propan-2-ol
CID 110909172
1-[(2-chlorophenyl)methoxy]-3-(2-methylpentan-3-ylamino)propan-2-ol
CID 61469297
1-(2-chlorophenyl)-2-(5-methylhexylamino)ethanol
CID 113287471
1-ethoxy-3-(5-methylhexylamino)propan-2-ol
CID 115325282
1-[(2-chlorophenyl)methoxy]-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propan-2-ol
CID 61014471
1-chloro-2-(2-methylpropoxymethyl)benzene
CID 123441834
methyl 2-[[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]amino]propanoate
CID 61499471
1-[(2-chlorophenyl)methoxy]-3-[(1-methoxy-3-methylbutan-2-yl)amino]propan-2-ol
CID 65049569

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methoxy]-3-(5-methylhexylamino)propan-2-ol?
The IUPAC name of 1-[(2-chlorophenyl)methoxy]-3-(5-methylhexylamino)propan-2-ol (CID 115325367) is 1-[(2-chlorophenyl)methoxy]-3-(5-methylhexylamino)propan-2-ol.
What is the SMILES notation for 1-[(2-chlorophenyl)methoxy]-3-(5-methylhexylamino)propan-2-ol?
The canonical SMILES for 1-[(2-chlorophenyl)methoxy]-3-(5-methylhexylamino)propan-2-ol is CC(C)CCCCNCC(O)COCc1ccccc1Cl.
What is the InChIKey of 1-[(2-chlorophenyl)methoxy]-3-(5-methylhexylamino)propan-2-ol?
The InChIKey is RHWRPRPBZKJLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClNO2/c1-14(2)7-5-6-10-19-11-16(20)13-21-12-15-8-3-4-9-17(15)18/h3-4,8-9,14,16,19-20H,5-7,10-13H2,1-2H3.
What are the key properties of 1-[(2-chlorophenyl)methoxy]-3-(5-methylhexylamino)propan-2-ol?
1-[(2-chlorophenyl)methoxy]-3-(5-methylhexylamino)propan-2-ol has a molecular weight of 313.87 g/mol, XLogP of 3.63, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methoxy]-3-(5-methylhexylamino)propan-2-ol is sourced from PubChem (CID 115325367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).