1-(butan-2-ylamino)-3-[(2-chlorophenyl)methoxy]propan-2-ol

C14H22ClNO2 — CID 60633320

IUPAC1-(butan-2-ylamino)-3-[(2-chlorophenyl)methoxy]propan-2-ol
SMILESCCC(C)NCC(O)COCc1ccccc1Cl
InChIInChI=1S/C14H22ClNO2/c1-3-11(2)16-8-13(17)10-18-9-12-6-4-5-7-14(12)15/h4-7,11,13,16-17H,3,8-10H2,1-2H3
InChIKeyHORSLVQIZJRLOS-UHFFFAOYSA-N
MW271.79 g/mol
LogP2.61
Rot. Bonds8

About 1-(butan-2-ylamino)-3-[(2-chlorophenyl)methoxy]propan-2-ol

1-(butan-2-ylamino)-3-[(2-chlorophenyl)methoxy]propan-2-ol (PubChem CID 60633320) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is 1-(butan-2-ylamino)-3-[(2-chlorophenyl)methoxy]propan-2-ol.

Molecular Properties

Compound Name1-(butan-2-ylamino)-3-[(2-chlorophenyl)methoxy]propan-2-ol
PubChem CID60633320
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC Name1-(butan-2-ylamino)-3-[(2-chlorophenyl)methoxy]propan-2-ol
SMILESCCC(C)NCC(O)COCc1ccccc1Cl
InChIInChI=1S/C14H22ClNO2/c1-3-11(2)16-8-13(17)10-18-9-12-6-4-5-7-14(12)15/h4-7,11,13,16-17H,3,8-10H2,1-2H3
InChIKeyHORSLVQIZJRLOS-UHFFFAOYSA-N
XLogP2.61
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-chlorophenyl)methoxy]-3-(2-methylpentan-3-ylamino)propan-2-ol
CID 61469297
(2R)-1-[(2-chlorophenyl)methoxy]-3-[[(2R)-heptan-2-yl]amino]propan-2-ol
CID 40654769
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
(2R)-1-[[(1S)-1-(4-bromophenyl)propyl]amino]-3-[(2-chlorophenyl)methoxy]propan-2-ol
CID 2561544
(2S)-1-[(2-chlorophenyl)methoxy]-3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol
CID 2118266
N-[2-[(2-chlorophenyl)methoxy]propyl]butan-2-amine
CID 62565595
1-(butan-2-ylamino)-3-[(4-chlorophenyl)methoxy]propan-2-ol chloride
CID 53313843
2-[[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]amino]-2-ethylbutan-1-ol
CID 62517459
1-[(2-chlorophenyl)methoxy]-3-(2-methylprop-2-enylamino)propan-2-ol
CID 114616799
1-[(2-chlorophenyl)methoxy]-3-(5-methylhexylamino)propan-2-ol
CID 115325367
1-[(2-chlorophenyl)methoxy]-3-(cyclopropylamino)propan-2-ol
CID 43090643

Frequently Asked Questions

What is the IUPAC name of 1-(butan-2-ylamino)-3-[(2-chlorophenyl)methoxy]propan-2-ol?
The IUPAC name of 1-(butan-2-ylamino)-3-[(2-chlorophenyl)methoxy]propan-2-ol (CID 60633320) is 1-(butan-2-ylamino)-3-[(2-chlorophenyl)methoxy]propan-2-ol.
What is the SMILES notation for 1-(butan-2-ylamino)-3-[(2-chlorophenyl)methoxy]propan-2-ol?
The canonical SMILES for 1-(butan-2-ylamino)-3-[(2-chlorophenyl)methoxy]propan-2-ol is CCC(C)NCC(O)COCc1ccccc1Cl.
What is the InChIKey of 1-(butan-2-ylamino)-3-[(2-chlorophenyl)methoxy]propan-2-ol?
The InChIKey is HORSLVQIZJRLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2/c1-3-11(2)16-8-13(17)10-18-9-12-6-4-5-7-14(12)15/h4-7,11,13,16-17H,3,8-10H2,1-2H3.
What are the key properties of 1-(butan-2-ylamino)-3-[(2-chlorophenyl)methoxy]propan-2-ol?
1-(butan-2-ylamino)-3-[(2-chlorophenyl)methoxy]propan-2-ol has a molecular weight of 271.79 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(butan-2-ylamino)-3-[(2-chlorophenyl)methoxy]propan-2-ol is sourced from PubChem (CID 60633320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).