4-[4-chloro-N-methyl-2-(methylaminomethyl)anilino]butan-2-ol

C13H21ClN2O — CID 114853635

IUPAC4-[4-chloro-N-methyl-2-(methylaminomethyl)anilino]butan-2-ol
SMILESCNCc1cc(Cl)ccc1N(C)CCC(C)O
InChIInChI=1S/C13H21ClN2O/c1-10(17)6-7-16(3)13-5-4-12(14)8-11(13)9-15-2/h4-5,8,10,15,17H,6-7,9H2,1-3H3
InChIKeySGWYHKXLAHHIQW-UHFFFAOYSA-N
MW256.78 g/mol
LogP2.27
Rot. Bonds6

About 4-[4-chloro-N-methyl-2-(methylaminomethyl)anilino]butan-2-ol

4-[4-chloro-N-methyl-2-(methylaminomethyl)anilino]butan-2-ol (PubChem CID 114853635) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is 4-[4-chloro-N-methyl-2-(methylaminomethyl)anilino]butan-2-ol.

Molecular Properties

Compound Name4-[4-chloro-N-methyl-2-(methylaminomethyl)anilino]butan-2-ol
PubChem CID114853635
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC Name4-[4-chloro-N-methyl-2-(methylaminomethyl)anilino]butan-2-ol
SMILESCNCc1cc(Cl)ccc1N(C)CCC(C)O
InChIInChI=1S/C13H21ClN2O/c1-10(17)6-7-16(3)13-5-4-12(14)8-11(13)9-15-2/h4-5,8,10,15,17H,6-7,9H2,1-3H3
InChIKeySGWYHKXLAHHIQW-UHFFFAOYSA-N
XLogP2.27
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-chloro-N-methyl-2-(methylaminomethyl)anilino]-N-methylpropanamide
CID 106916712
4-chloro-N-methyl-2-(methylaminomethyl)-N-(2-phenylethyl)aniline
CID 114851960
[5-chloro-2-[methyl(3-methylbutyl)amino]phenyl]methanol
CID 114845343
2-(bromomethyl)-4-chloro-N-methyl-N-(3-methylbutyl)aniline
CID 107081165
3-[4-chloro-2-(methylaminomethyl)-N-propan-2-ylanilino]propan-1-ol
CID 114849790
4-chloro-2-(ethylaminomethyl)-N-methyl-N-propylaniline
CID 114848022
2-[4-chloro-N-methyl-2-(methylaminomethyl)anilino]-N,N-diethylacetamide
CID 114849406
N'-[4-chloro-2-[(propan-2-ylamino)methyl]phenyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 114851411
4-chloro-N-ethyl-2-(methylaminomethyl)-N-propylaniline
CID 114847967
2-[4-chloro-N-methyl-2-(propylaminomethyl)anilino]ethanol
CID 114848634
5-chloro-N-ethyl-N-methyl-2-(methylaminomethyl)aniline
CID 114847884
4-chloro-N-(3-methoxypropyl)-N-methyl-2-[(2-methylpropylamino)methyl]aniline
CID 114850889

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-N-methyl-2-(methylaminomethyl)anilino]butan-2-ol?
The IUPAC name of 4-[4-chloro-N-methyl-2-(methylaminomethyl)anilino]butan-2-ol (CID 114853635) is 4-[4-chloro-N-methyl-2-(methylaminomethyl)anilino]butan-2-ol.
What is the SMILES notation for 4-[4-chloro-N-methyl-2-(methylaminomethyl)anilino]butan-2-ol?
The canonical SMILES for 4-[4-chloro-N-methyl-2-(methylaminomethyl)anilino]butan-2-ol is CNCc1cc(Cl)ccc1N(C)CCC(C)O.
What is the InChIKey of 4-[4-chloro-N-methyl-2-(methylaminomethyl)anilino]butan-2-ol?
The InChIKey is SGWYHKXLAHHIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O/c1-10(17)6-7-16(3)13-5-4-12(14)8-11(13)9-15-2/h4-5,8,10,15,17H,6-7,9H2,1-3H3.
What are the key properties of 4-[4-chloro-N-methyl-2-(methylaminomethyl)anilino]butan-2-ol?
4-[4-chloro-N-methyl-2-(methylaminomethyl)anilino]butan-2-ol has a molecular weight of 256.78 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-N-methyl-2-(methylaminomethyl)anilino]butan-2-ol is sourced from PubChem (CID 114853635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).