2-amino-3-(5-chloro-2-methoxy-N-methylanilino)propan-1-ol

C11H17ClN2O2 — CID 115120381

IUPAC2-amino-3-(5-chloro-2-methoxy-N-methylanilino)propan-1-ol
SMILESCOc1ccc(Cl)cc1N(C)CC(N)CO
InChIInChI=1S/C11H17ClN2O2/c1-14(6-9(13)7-15)10-5-8(12)3-4-11(10)16-2/h3-5,9,15H,6-7,13H2,1-2H3
InChIKeyYXYMRPYONSFBQQ-UHFFFAOYSA-N
MW244.72 g/mol
LogP1.10
Rot. Bonds5

About 2-amino-3-(5-chloro-2-methoxy-N-methylanilino)propan-1-ol

2-amino-3-(5-chloro-2-methoxy-N-methylanilino)propan-1-ol (PubChem CID 115120381) has the molecular formula C11H17ClN2O2 and a molecular weight of 244.72 g/mol. Its IUPAC name is 2-amino-3-(5-chloro-2-methoxy-N-methylanilino)propan-1-ol.

Molecular Properties

Compound Name2-amino-3-(5-chloro-2-methoxy-N-methylanilino)propan-1-ol
PubChem CID115120381
Molecular FormulaC11H17ClN2O2
Molecular Weight244.72 g/mol
Exact Mass244.10
IUPAC Name2-amino-3-(5-chloro-2-methoxy-N-methylanilino)propan-1-ol
SMILESCOc1ccc(Cl)cc1N(C)CC(N)CO
InChIInChI=1S/C11H17ClN2O2/c1-14(6-9(13)7-15)10-5-8(12)3-4-11(10)16-2/h3-5,9,15H,6-7,13H2,1-2H3
InChIKeyYXYMRPYONSFBQQ-UHFFFAOYSA-N
XLogP1.10
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(2-methoxy-N,5-dimethylanilino)propan-1-ol
CID 115120374
2-amino-3-(2-methoxy-N-methyl-5-propan-2-ylanilino)propan-1-ol
CID 115120393
N'-(5-chloro-2-methoxyphenyl)-N'-methylmethanediamine
CID 115225518
2-amino-3-(4-methoxy-N,2,5-trimethylanilino)propan-1-ol
CID 115120401
5-chloro-2-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 115257735
N-[(1-aminocyclopropyl)methyl]-5-chloro-2-methoxy-N-methylaniline
CID 115256482
N-(5-chloro-2-methoxyphenyl)-N-methylcarbamoyl chloride
CID 115194462
2-amino-3-(4-methoxy-N,2,3,6-tetramethylanilino)propan-1-ol
CID 115120488
2-[(2-methoxy-N,5-dimethylanilino)methyl]-3-methylbutan-1-ol
CID 115251929
(2S)-2-amino-2-(5-chloro-2-methoxyphenyl)ethanol;hydrochloride
CID 171215057
3-amino-4-(5-ethyl-2-methoxy-N-methylanilino)butanoic acid
CID 115241577
3-N-(5-chloro-2-methoxy-4-methylphenyl)-3-N-methylpropane-1,2,3-triamine
CID 115119542

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(5-chloro-2-methoxy-N-methylanilino)propan-1-ol?
The IUPAC name of 2-amino-3-(5-chloro-2-methoxy-N-methylanilino)propan-1-ol (CID 115120381) is 2-amino-3-(5-chloro-2-methoxy-N-methylanilino)propan-1-ol.
What is the SMILES notation for 2-amino-3-(5-chloro-2-methoxy-N-methylanilino)propan-1-ol?
The canonical SMILES for 2-amino-3-(5-chloro-2-methoxy-N-methylanilino)propan-1-ol is COc1ccc(Cl)cc1N(C)CC(N)CO.
What is the InChIKey of 2-amino-3-(5-chloro-2-methoxy-N-methylanilino)propan-1-ol?
The InChIKey is YXYMRPYONSFBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2/c1-14(6-9(13)7-15)10-5-8(12)3-4-11(10)16-2/h3-5,9,15H,6-7,13H2,1-2H3.
What are the key properties of 2-amino-3-(5-chloro-2-methoxy-N-methylanilino)propan-1-ol?
2-amino-3-(5-chloro-2-methoxy-N-methylanilino)propan-1-ol has a molecular weight of 244.72 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(5-chloro-2-methoxy-N-methylanilino)propan-1-ol is sourced from PubChem (CID 115120381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).