(2R)-1-(tert-butylamino)-3-(4-chloro-2-methylphenoxy)propan-2-ol

C14H22ClNO2 — CID 959161

IUPAC(2R)-1-(tert-butylamino)-3-(4-chloro-2-methylphenoxy)propan-2-ol
SMILESCc1cc(Cl)ccc1OC[C@H](O)CNC(C)(C)C
InChIInChI=1S/C14H22ClNO2/c1-10-7-11(15)5-6-13(10)18-9-12(17)8-16-14(2,3)4/h5-7,12,16-17H,8-9H2,1-4H3/t12-/m1/s1
InChIKeyZKGULYSCOAAHEI-GFCCVEGCSA-N
MW271.79 g/mol
LogP2.78
Rot. Bonds5

About (2R)-1-(tert-butylamino)-3-(4-chloro-2-methylphenoxy)propan-2-ol

(2R)-1-(tert-butylamino)-3-(4-chloro-2-methylphenoxy)propan-2-ol (PubChem CID 959161) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is (2R)-1-(tert-butylamino)-3-(4-chloro-2-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(tert-butylamino)-3-(4-chloro-2-methylphenoxy)propan-2-ol
PubChem CID959161
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC Name(2R)-1-(tert-butylamino)-3-(4-chloro-2-methylphenoxy)propan-2-ol
SMILESCc1cc(Cl)ccc1OC[C@H](O)CNC(C)(C)C
InChIInChI=1S/C14H22ClNO2/c1-10-7-11(15)5-6-13(10)18-9-12(17)8-16-14(2,3)4/h5-7,12,16-17H,8-9H2,1-4H3/t12-/m1/s1
InChIKeyZKGULYSCOAAHEI-GFCCVEGCSA-N
XLogP2.78
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(tert-butylamino)-3-(4-chloro-2-methylphenoxy)propan-2-ol;hydrochloride
CID 44787018
(2R)-1-(tert-butylamino)-3-(2-methylphenoxy)propan-2-ol
CID 27319600
(2S)-1-amino-3-(4-chloro-2-methylphenoxy)propan-2-ol
CID 9159069
4-chloro-1-(4-chloro-2-methylphenoxy)butan-2-ol
CID 13120346
2-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-2-methylpropan-1-ol
CID 3412619
1-(tert-butylamino)-3-[4-tert-butyl-2-[3-(tert-butylamino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 21490518
1-(tert-butylamino)-3-(3-chloro-4-fluorophenoxy)propan-2-ol
CID 115476132
1-[4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-methylphenyl]-3-prop-2-enylurea
CID 14853124
1-(4-chloro-2-methylphenoxy)-3-[1-(4-ethylphenyl)ethylamino]propan-2-ol;hydrochloride
CID 138958863
1-(4-chloro-2-methylphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride
CID 138959137
1-(tert-butylamino)-3-(2,3-diamino-4,5-dimethylphenoxy)propan-2-ol
CID 20513342
1-(2,5-dichlorophenoxy)-3-(3-methylpentan-3-ylamino)propan-2-ol
CID 103746646

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(tert-butylamino)-3-(4-chloro-2-methylphenoxy)propan-2-ol?
The IUPAC name of (2R)-1-(tert-butylamino)-3-(4-chloro-2-methylphenoxy)propan-2-ol (CID 959161) is (2R)-1-(tert-butylamino)-3-(4-chloro-2-methylphenoxy)propan-2-ol.
What is the SMILES notation for (2R)-1-(tert-butylamino)-3-(4-chloro-2-methylphenoxy)propan-2-ol?
The canonical SMILES for (2R)-1-(tert-butylamino)-3-(4-chloro-2-methylphenoxy)propan-2-ol is Cc1cc(Cl)ccc1OC[C@H](O)CNC(C)(C)C.
What is the InChIKey of (2R)-1-(tert-butylamino)-3-(4-chloro-2-methylphenoxy)propan-2-ol?
The InChIKey is ZKGULYSCOAAHEI-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H22ClNO2/c1-10-7-11(15)5-6-13(10)18-9-12(17)8-16-14(2,3)4/h5-7,12,16-17H,8-9H2,1-4H3/t12-/m1/s1.
What are the key properties of (2R)-1-(tert-butylamino)-3-(4-chloro-2-methylphenoxy)propan-2-ol?
(2R)-1-(tert-butylamino)-3-(4-chloro-2-methylphenoxy)propan-2-ol has a molecular weight of 271.79 g/mol, XLogP of 2.78, 5 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-chloro-2-methylphenoxy)propan-2-ol is sourced from PubChem (CID 959161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).