1-[3-chloro-N-ethyl-2-(ethylaminomethyl)anilino]-2-methylpropan-2-ol

C15H25ClN2O — CID 79390759

IUPAC1-[3-chloro-N-ethyl-2-(ethylaminomethyl)anilino]-2-methylpropan-2-ol
SMILESCCNCc1c(Cl)cccc1N(CC)CC(C)(C)O
InChIInChI=1S/C15H25ClN2O/c1-5-17-10-12-13(16)8-7-9-14(12)18(6-2)11-15(3,4)19/h7-9,17,19H,5-6,10-11H2,1-4H3
InChIKeyQEDCJEWQVJMXSU-UHFFFAOYSA-N
MW284.83 g/mol
LogP3.05
Rot. Bonds7

About 1-[3-chloro-N-ethyl-2-(ethylaminomethyl)anilino]-2-methylpropan-2-ol

1-[3-chloro-N-ethyl-2-(ethylaminomethyl)anilino]-2-methylpropan-2-ol (PubChem CID 79390759) has the molecular formula C15H25ClN2O and a molecular weight of 284.83 g/mol. Its IUPAC name is 1-[3-chloro-N-ethyl-2-(ethylaminomethyl)anilino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[3-chloro-N-ethyl-2-(ethylaminomethyl)anilino]-2-methylpropan-2-ol
PubChem CID79390759
Molecular FormulaC15H25ClN2O
Molecular Weight284.83 g/mol
Exact Mass284.17
IUPAC Name1-[3-chloro-N-ethyl-2-(ethylaminomethyl)anilino]-2-methylpropan-2-ol
SMILESCCNCc1c(Cl)cccc1N(CC)CC(C)(C)O
InChIInChI=1S/C15H25ClN2O/c1-5-17-10-12-13(16)8-7-9-14(12)18(6-2)11-15(3,4)19/h7-9,17,19H,5-6,10-11H2,1-4H3
InChIKeyQEDCJEWQVJMXSU-UHFFFAOYSA-N
XLogP3.05
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.83
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-chloro-N-ethyl-2-(hydroxymethyl)anilino]-2-methylpropan-2-ol
CID 79387897
N-benzyl-3-chloro-N-ethyl-2-(ethylaminomethyl)aniline
CID 43281523
3-chloro-N-ethyl-2-(ethylaminomethyl)-N-(furan-2-ylmethyl)aniline
CID 61423120
3-chloro-2-(ethylaminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 60893129
N-[(2,6-dichlorophenyl)methyl]ethanamine;hydrochloride
CID 17290765
2-chloro-6-[ethyl-(2-hydroxy-2-methylpropyl)amino]benzenecarboximidamide
CID 79387650
3-chloro-N-ethyl-2-(ethylaminomethyl)-N-(4-methylphenyl)aniline
CID 63551401
2-[3-chloro-N-ethyl-2-[(2-methylpropylamino)methyl]anilino]ethanol
CID 63059873
2-N-[3-chloro-2-(ethylaminomethyl)phenyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103190017
N-butyl-3-chloro-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline
CID 63058912
3-chloro-2-(ethylaminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline
CID 63866426
3-chloro-N-(cyclopropylmethyl)-2-(ethylaminomethyl)-N-propan-2-ylaniline
CID 54999469

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-N-ethyl-2-(ethylaminomethyl)anilino]-2-methylpropan-2-ol?
The IUPAC name of 1-[3-chloro-N-ethyl-2-(ethylaminomethyl)anilino]-2-methylpropan-2-ol (CID 79390759) is 1-[3-chloro-N-ethyl-2-(ethylaminomethyl)anilino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[3-chloro-N-ethyl-2-(ethylaminomethyl)anilino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[3-chloro-N-ethyl-2-(ethylaminomethyl)anilino]-2-methylpropan-2-ol is CCNCc1c(Cl)cccc1N(CC)CC(C)(C)O.
What is the InChIKey of 1-[3-chloro-N-ethyl-2-(ethylaminomethyl)anilino]-2-methylpropan-2-ol?
The InChIKey is QEDCJEWQVJMXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2O/c1-5-17-10-12-13(16)8-7-9-14(12)18(6-2)11-15(3,4)19/h7-9,17,19H,5-6,10-11H2,1-4H3.
What are the key properties of 1-[3-chloro-N-ethyl-2-(ethylaminomethyl)anilino]-2-methylpropan-2-ol?
1-[3-chloro-N-ethyl-2-(ethylaminomethyl)anilino]-2-methylpropan-2-ol has a molecular weight of 284.83 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-N-ethyl-2-(ethylaminomethyl)anilino]-2-methylpropan-2-ol is sourced from PubChem (CID 79390759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).