1-[bis(2-hydroxyethyl)amino]-3-(4-chloro-2-methylphenoxy)propan-2-ol;hydrochloride

C14H23Cl2NO4 — CID 44828171

IUPAC1-[bis(2-hydroxyethyl)amino]-3-(4-chloro-2-methylphenoxy)propan-2-ol;hydrochloride
SMILESCc1cc(Cl)ccc1OCC(O)CN(CCO)CCO.Cl
InChIInChI=1S/C14H22ClNO4.ClH/c1-11-8-12(15)2-3-14(11)20-10-13(19)9-16(4-6-17)5-7-18;/h2-3,8,13,17-19H,4-7,9-10H2,1H3;1H
InChIKeyNJGHNLXZHQMWTD-UHFFFAOYSA-N
MW340.25 g/mol
LogP1.10
Rot. Bonds9

About 1-[bis(2-hydroxyethyl)amino]-3-(4-chloro-2-methylphenoxy)propan-2-ol;hydrochloride

1-[bis(2-hydroxyethyl)amino]-3-(4-chloro-2-methylphenoxy)propan-2-ol;hydrochloride (PubChem CID 44828171) has the molecular formula C14H23Cl2NO4 and a molecular weight of 340.25 g/mol. Its IUPAC name is 1-[bis(2-hydroxyethyl)amino]-3-(4-chloro-2-methylphenoxy)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-[bis(2-hydroxyethyl)amino]-3-(4-chloro-2-methylphenoxy)propan-2-ol;hydrochloride
PubChem CID44828171
Molecular FormulaC14H23Cl2NO4
Molecular Weight340.25 g/mol
Exact Mass339.10
IUPAC Name1-[bis(2-hydroxyethyl)amino]-3-(4-chloro-2-methylphenoxy)propan-2-ol;hydrochloride
SMILESCc1cc(Cl)ccc1OCC(O)CN(CCO)CCO.Cl
InChIInChI=1S/C14H22ClNO4.ClH/c1-11-8-12(15)2-3-14(11)20-10-13(19)9-16(4-6-17)5-7-18;/h2-3,8,13,17-19H,4-7,9-10H2,1H3;1H
InChIKeyNJGHNLXZHQMWTD-UHFFFAOYSA-N
XLogP1.10
TPSA73.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.25
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[bis(2-hydroxyethyl)amino]-3-(2,4-dichlorophenoxy)propan-2-ol;hydrochloride
CID 16798589
1-[bis(2-hydroxyethyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 3843080
(2S)-1-(4-tert-butyl-2-methylphenoxy)-3-[ethyl(2-hydroxyethyl)amino]propan-2-ol
CID 41104142
(2S)-1-amino-3-(4-chloro-2-methylphenoxy)propan-2-ol
CID 9159069
1-[benzyl(2-hydroxyethyl)amino]-3-(2,4-dimethylphenoxy)propan-2-ol;hydrochloride
CID 2770333
4-chloro-1-(4-chloro-2-methylphenoxy)butan-2-ol
CID 13120346
(2S)-1-[butyl(2-hydroxyethyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 95231993
1-(tert-butylamino)-3-(4-chloro-2-methylphenoxy)propan-2-ol;hydrochloride
CID 44787018
1-(4-tert-butyl-2-methylphenoxy)-3-[2-hydroxyethyl(methyl)amino]propan-2-ol
CID 110877511
(2R)-1-(4-chloro-2-methylphenoxy)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol
CID 1353039
(2R)-1-(tert-butylamino)-3-(4-chloro-2-methylphenoxy)propan-2-ol
CID 959161
1-[bis(2-hydroxyethyl)amino]-3-(2,6-dimethoxyphenoxy)propan-2-ol;hydrochloride
CID 16806866

Frequently Asked Questions

What is the IUPAC name of 1-[bis(2-hydroxyethyl)amino]-3-(4-chloro-2-methylphenoxy)propan-2-ol;hydrochloride?
The IUPAC name of 1-[bis(2-hydroxyethyl)amino]-3-(4-chloro-2-methylphenoxy)propan-2-ol;hydrochloride (CID 44828171) is 1-[bis(2-hydroxyethyl)amino]-3-(4-chloro-2-methylphenoxy)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-[bis(2-hydroxyethyl)amino]-3-(4-chloro-2-methylphenoxy)propan-2-ol;hydrochloride?
The canonical SMILES for 1-[bis(2-hydroxyethyl)amino]-3-(4-chloro-2-methylphenoxy)propan-2-ol;hydrochloride is Cc1cc(Cl)ccc1OCC(O)CN(CCO)CCO.Cl.
What is the InChIKey of 1-[bis(2-hydroxyethyl)amino]-3-(4-chloro-2-methylphenoxy)propan-2-ol;hydrochloride?
The InChIKey is NJGHNLXZHQMWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO4.ClH/c1-11-8-12(15)2-3-14(11)20-10-13(19)9-16(4-6-17)5-7-18;/h2-3,8,13,17-19H,4-7,9-10H2,1H3;1H.
What are the key properties of 1-[bis(2-hydroxyethyl)amino]-3-(4-chloro-2-methylphenoxy)propan-2-ol;hydrochloride?
1-[bis(2-hydroxyethyl)amino]-3-(4-chloro-2-methylphenoxy)propan-2-ol;hydrochloride has a molecular weight of 340.25 g/mol, XLogP of 1.10, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(2-hydroxyethyl)amino]-3-(4-chloro-2-methylphenoxy)propan-2-ol;hydrochloride is sourced from PubChem (CID 44828171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).