1-(4-chloro-2-methylanilino)-3-(diethylamino)propan-2-ol

C14H23ClN2O — CID 114255834

IUPAC1-(4-chloro-2-methylanilino)-3-(diethylamino)propan-2-ol
SMILESCCN(CC)CC(O)CNc1ccc(Cl)cc1C
InChIInChI=1S/C14H23ClN2O/c1-4-17(5-2)10-13(18)9-16-14-7-6-12(15)8-11(14)3/h6-8,13,16,18H,4-5,9-10H2,1-3H3
InChIKeySMJJFARZWLAHJE-UHFFFAOYSA-N
MW270.80 g/mol
LogP2.76
Rot. Bonds7

About 1-(4-chloro-2-methylanilino)-3-(diethylamino)propan-2-ol

1-(4-chloro-2-methylanilino)-3-(diethylamino)propan-2-ol (PubChem CID 114255834) has the molecular formula C14H23ClN2O and a molecular weight of 270.80 g/mol. Its IUPAC name is 1-(4-chloro-2-methylanilino)-3-(diethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(4-chloro-2-methylanilino)-3-(diethylamino)propan-2-ol
PubChem CID114255834
Molecular FormulaC14H23ClN2O
Molecular Weight270.80 g/mol
Exact Mass270.15
IUPAC Name1-(4-chloro-2-methylanilino)-3-(diethylamino)propan-2-ol
SMILESCCN(CC)CC(O)CNc1ccc(Cl)cc1C
InChIInChI=1S/C14H23ClN2O/c1-4-17(5-2)10-13(18)9-16-14-7-6-12(15)8-11(14)3/h6-8,13,16,18H,4-5,9-10H2,1-3H3
InChIKeySMJJFARZWLAHJE-UHFFFAOYSA-N
XLogP2.76
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-fluoroanilino)-3-(diethylamino)propan-2-ol
CID 83108692
1-(2,3-dichloroanilino)-3-(diethylamino)propan-2-ol
CID 60899997
4-chloro-2-methyl-N-(2-methylbutyl)aniline
CID 43093539
3-(4-chloro-2-methylanilino)-1,1,1-trifluoropropan-2-ol
CID 126846999
1-[(7-chloroquinolin-4-yl)amino]-3-(diethylamino)propan-2-ol;phosphoric acid
CID 54599799
1-(4-bromo-3-methylanilino)-3-(diethylamino)propan-2-ol
CID 60897509
1-(diethylamino)-3-(3,4,5-trifluoroanilino)propan-2-ol
CID 62810463
(2S)-1-(3,6-dichlorocarbazol-9-yl)-3-(2,4-dimethylanilino)propan-2-ol
CID 1050322
N-(4-chloro-2-methylphenyl)-2-(diethylamino)acetamide;hydrochloride
CID 131885103
1-(diethylamino)-3-(2,5-dimethoxyanilino)propan-2-ol
CID 60897898
4-chloro-N-(3-methoxy-2-methylpropyl)-2-methylaniline
CID 116500771
1-(diethylamino)-3-(4-ethylanilino)propan-2-ol
CID 60900874

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methylanilino)-3-(diethylamino)propan-2-ol?
The IUPAC name of 1-(4-chloro-2-methylanilino)-3-(diethylamino)propan-2-ol (CID 114255834) is 1-(4-chloro-2-methylanilino)-3-(diethylamino)propan-2-ol.
What is the SMILES notation for 1-(4-chloro-2-methylanilino)-3-(diethylamino)propan-2-ol?
The canonical SMILES for 1-(4-chloro-2-methylanilino)-3-(diethylamino)propan-2-ol is CCN(CC)CC(O)CNc1ccc(Cl)cc1C.
What is the InChIKey of 1-(4-chloro-2-methylanilino)-3-(diethylamino)propan-2-ol?
The InChIKey is SMJJFARZWLAHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O/c1-4-17(5-2)10-13(18)9-16-14-7-6-12(15)8-11(14)3/h6-8,13,16,18H,4-5,9-10H2,1-3H3.
What are the key properties of 1-(4-chloro-2-methylanilino)-3-(diethylamino)propan-2-ol?
1-(4-chloro-2-methylanilino)-3-(diethylamino)propan-2-ol has a molecular weight of 270.80 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methylanilino)-3-(diethylamino)propan-2-ol is sourced from PubChem (CID 114255834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).