1-(butan-2-ylamino)-3-[(4-chlorophenyl)methoxy]propan-2-ol chloride

C14H22Cl2NO2- — CID 53313843

IUPAC1-(butan-2-ylamino)-3-[(4-chlorophenyl)methoxy]propan-2-ol chloride
SMILESCCC(C)NCC(O)COCc1ccc(Cl)cc1.[Cl-]
InChIInChI=1S/C14H22ClNO2.ClH/c1-3-11(2)16-8-14(17)10-18-9-12-4-6-13(15)7-5-12;/h4-7,11,14,16-17H,3,8-10H2,1-2H3;1H/p-1
InChIKeyONFWALCGDAXDFL-UHFFFAOYSA-M
MW307.24 g/mol
LogP-0.39
Rot. Bonds8

About 1-(butan-2-ylamino)-3-[(4-chlorophenyl)methoxy]propan-2-ol chloride

1-(butan-2-ylamino)-3-[(4-chlorophenyl)methoxy]propan-2-ol chloride (PubChem CID 53313843) has the molecular formula C14H22Cl2NO2- and a molecular weight of 307.24 g/mol. Its IUPAC name is 1-(butan-2-ylamino)-3-[(4-chlorophenyl)methoxy]propan-2-ol chloride.

Molecular Properties

Compound Name1-(butan-2-ylamino)-3-[(4-chlorophenyl)methoxy]propan-2-ol chloride
PubChem CID53313843
Molecular FormulaC14H22Cl2NO2-
Molecular Weight307.24 g/mol
Exact Mass306.10
IUPAC Name1-(butan-2-ylamino)-3-[(4-chlorophenyl)methoxy]propan-2-ol chloride
SMILESCCC(C)NCC(O)COCc1ccc(Cl)cc1.[Cl-]
InChIInChI=1S/C14H22ClNO2.ClH/c1-3-11(2)16-8-14(17)10-18-9-12-4-6-13(15)7-5-12;/h4-7,11,14,16-17H,3,8-10H2,1-2H3;1H/p-1
InChIKeyONFWALCGDAXDFL-UHFFFAOYSA-M
XLogP-0.39
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.24
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(butan-2-ylamino)-3-[(2-chlorophenyl)methoxy]propan-2-ol
CID 60633320
2-[[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]amino]-N,N-dimethylpropanamide
CID 61464816
(2R)-1-(tert-butylamino)-3-[(4-chlorophenyl)methoxy]propan-2-ol
CID 7024938
1-[(4-chlorophenyl)methoxy]-3-(3-propoxypropylamino)propan-2-ol
CID 82942338
1-(2-methylpentan-3-ylamino)-3-phenylmethoxypropan-2-ol
CID 61469295
1-[(4-chlorophenyl)methoxy]-3-(2-methylanilino)propan-2-ol
CID 60900159
1-[(4-chlorophenyl)methoxy]-3-(2,2,2-trifluoroethoxyamino)propan-2-ol
CID 82721875
1-[(4-chlorophenyl)methoxy]-3-(cyclopentylamino)propan-2-ol
CID 60635580
N-[2-[[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]amino]ethyl]methanesulfonamide
CID 60909199
1-[(4-chlorophenyl)methoxy]-3-[1-[4-(tetrazol-1-yl)phenyl]ethylamino]propan-2-ol
CID 138961166
3-[[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]amino]-2-hydroxypropanamide
CID 106174960
1-(2-bromoanilino)-3-[(4-chlorophenyl)methoxy]propan-2-ol
CID 60897419

Frequently Asked Questions

What is the IUPAC name of 1-(butan-2-ylamino)-3-[(4-chlorophenyl)methoxy]propan-2-ol chloride?
The IUPAC name of 1-(butan-2-ylamino)-3-[(4-chlorophenyl)methoxy]propan-2-ol chloride (CID 53313843) is 1-(butan-2-ylamino)-3-[(4-chlorophenyl)methoxy]propan-2-ol chloride.
What is the SMILES notation for 1-(butan-2-ylamino)-3-[(4-chlorophenyl)methoxy]propan-2-ol chloride?
The canonical SMILES for 1-(butan-2-ylamino)-3-[(4-chlorophenyl)methoxy]propan-2-ol chloride is CCC(C)NCC(O)COCc1ccc(Cl)cc1.[Cl-].
What is the InChIKey of 1-(butan-2-ylamino)-3-[(4-chlorophenyl)methoxy]propan-2-ol chloride?
The InChIKey is ONFWALCGDAXDFL-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H22ClNO2.ClH/c1-3-11(2)16-8-14(17)10-18-9-12-4-6-13(15)7-5-12;/h4-7,11,14,16-17H,3,8-10H2,1-2H3;1H/p-1.
What are the key properties of 1-(butan-2-ylamino)-3-[(4-chlorophenyl)methoxy]propan-2-ol chloride?
1-(butan-2-ylamino)-3-[(4-chlorophenyl)methoxy]propan-2-ol chloride has a molecular weight of 307.24 g/mol, XLogP of -0.39, 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-[(4-chlorophenyl)methoxy]propan-2-ol chloride is sourced from PubChem (CID 53313843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).