(2R)-1-(tert-butylamino)-3-[(4-chlorophenyl)methoxy]propan-2-ol

C14H22ClNO2 — CID 7024938

IUPAC(2R)-1-(tert-butylamino)-3-[(4-chlorophenyl)methoxy]propan-2-ol
SMILESCC(C)(C)NC[C@@H](O)COCc1ccc(Cl)cc1
InChIInChI=1S/C14H22ClNO2/c1-14(2,3)16-8-13(17)10-18-9-11-4-6-12(15)7-5-11/h4-7,13,16-17H,8-10H2,1-3H3/t13-/m1/s1
InChIKeyUHWMGYFMHQHWPW-CYBMUJFWSA-N
MW271.79 g/mol
LogP2.61
Rot. Bonds6

About (2R)-1-(tert-butylamino)-3-[(4-chlorophenyl)methoxy]propan-2-ol

(2R)-1-(tert-butylamino)-3-[(4-chlorophenyl)methoxy]propan-2-ol (PubChem CID 7024938) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is (2R)-1-(tert-butylamino)-3-[(4-chlorophenyl)methoxy]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(tert-butylamino)-3-[(4-chlorophenyl)methoxy]propan-2-ol
PubChem CID7024938
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC Name(2R)-1-(tert-butylamino)-3-[(4-chlorophenyl)methoxy]propan-2-ol
SMILESCC(C)(C)NC[C@@H](O)COCc1ccc(Cl)cc1
InChIInChI=1S/C14H22ClNO2/c1-14(2,3)16-8-13(17)10-18-9-11-4-6-12(15)7-5-11/h4-7,13,16-17H,8-10H2,1-3H3/t13-/m1/s1
InChIKeyUHWMGYFMHQHWPW-CYBMUJFWSA-N
XLogP2.61
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

Analyze (2R)-1-(tert-butylamino)-3-[(4-chlorophenyl)methoxy]propan-2-ol with MolForge

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Related Compounds

5-[[3-(tert-butylamino)-2-hydroxypropoxy]methyl]benzene-1,2,3-triol
CID 15670647
5-[[3-(tert-butylamino)-2-hydroxypropoxy]methyl]benzene-1,3-diol
CID 15670646
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-(butan-2-ylamino)-3-[(4-chlorophenyl)methoxy]propan-2-ol chloride
CID 53313843
1-[[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106247300
1-(2-bromoanilino)-3-[(4-chlorophenyl)methoxy]propan-2-ol
CID 60897419
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-(3-propoxypropylamino)propan-2-ol
CID 82942338
1-[(4-chlorophenyl)methoxy]-3-[(1,3-dimethylpyrazol-4-yl)amino]propan-2-ol
CID 102805214
3-[[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]amino]-2-hydroxypropanamide
CID 106174960

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(tert-butylamino)-3-[(4-chlorophenyl)methoxy]propan-2-ol?
The IUPAC name of (2R)-1-(tert-butylamino)-3-[(4-chlorophenyl)methoxy]propan-2-ol (CID 7024938) is (2R)-1-(tert-butylamino)-3-[(4-chlorophenyl)methoxy]propan-2-ol.
What is the SMILES notation for (2R)-1-(tert-butylamino)-3-[(4-chlorophenyl)methoxy]propan-2-ol?
The canonical SMILES for (2R)-1-(tert-butylamino)-3-[(4-chlorophenyl)methoxy]propan-2-ol is CC(C)(C)NC[C@@H](O)COCc1ccc(Cl)cc1.
What is the InChIKey of (2R)-1-(tert-butylamino)-3-[(4-chlorophenyl)methoxy]propan-2-ol?
The InChIKey is UHWMGYFMHQHWPW-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H22ClNO2/c1-14(2,3)16-8-13(17)10-18-9-11-4-6-12(15)7-5-11/h4-7,13,16-17H,8-10H2,1-3H3/t13-/m1/s1.
What are the key properties of (2R)-1-(tert-butylamino)-3-[(4-chlorophenyl)methoxy]propan-2-ol?
(2R)-1-(tert-butylamino)-3-[(4-chlorophenyl)methoxy]propan-2-ol has a molecular weight of 271.79 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(tert-butylamino)-3-[(4-chlorophenyl)methoxy]propan-2-ol is sourced from PubChem (CID 7024938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).