2-[3-chloro-N-ethyl-2-[(2-methylpropylamino)methyl]anilino]ethanol

C15H25ClN2O — CID 63059873

IUPAC2-[3-chloro-N-ethyl-2-[(2-methylpropylamino)methyl]anilino]ethanol
SMILESCCN(CCO)c1cccc(Cl)c1CNCC(C)C
InChIInChI=1S/C15H25ClN2O/c1-4-18(8-9-19)15-7-5-6-14(16)13(15)11-17-10-12(2)3/h5-7,12,17,19H,4,8-11H2,1-3H3
InChIKeyUXQMVNGZEFASTE-UHFFFAOYSA-N
MW284.83 g/mol
LogP2.90
Rot. Bonds8

About 2-[3-chloro-N-ethyl-2-[(2-methylpropylamino)methyl]anilino]ethanol

2-[3-chloro-N-ethyl-2-[(2-methylpropylamino)methyl]anilino]ethanol (PubChem CID 63059873) has the molecular formula C15H25ClN2O and a molecular weight of 284.83 g/mol. Its IUPAC name is 2-[3-chloro-N-ethyl-2-[(2-methylpropylamino)methyl]anilino]ethanol.

Molecular Properties

Compound Name2-[3-chloro-N-ethyl-2-[(2-methylpropylamino)methyl]anilino]ethanol
PubChem CID63059873
Molecular FormulaC15H25ClN2O
Molecular Weight284.83 g/mol
Exact Mass284.17
IUPAC Name2-[3-chloro-N-ethyl-2-[(2-methylpropylamino)methyl]anilino]ethanol
SMILESCCN(CCO)c1cccc(Cl)c1CNCC(C)C
InChIInChI=1S/C15H25ClN2O/c1-4-18(8-9-19)15-7-5-6-14(16)13(15)11-17-10-12(2)3/h5-7,12,17,19H,4,8-11H2,1-3H3
InChIKeyUXQMVNGZEFASTE-UHFFFAOYSA-N
XLogP2.90
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.83
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-methyl-N-(3-methylbutyl)-2-[(2-methylpropylamino)methyl]aniline
CID 63551356
2-(2-chloro-N-ethylanilino)ethanol
CID 70558139
N-benzyl-3-chloro-N-ethyl-2-(ethylaminomethyl)aniline
CID 43281523
1-[3-chloro-N-ethyl-2-(ethylaminomethyl)anilino]-2-methylpropan-2-ol
CID 79390759
4-[(2,6-dichlorophenyl)methylamino]-3-methylbutan-1-ol
CID 66089888
3-chloro-N-(cyclobutylmethyl)-N-methyl-2-[(2-methylpropylamino)methyl]aniline
CID 63552343
N-butyl-3-chloro-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline
CID 63058912
N-[(2-chloro-6-fluorophenyl)methyl]-2-methylpropan-1-amine;ethane
CID 142079135
2-N-[3-chloro-2-(ethylaminomethyl)phenyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103190017
3-chloro-N-ethyl-2-(ethylaminomethyl)-N-(furan-2-ylmethyl)aniline
CID 61423120
[2-[bis(2-methylpropyl)amino]-6-chlorophenyl]methanol
CID 63541422
N,N-dibutyl-3-chloro-2-[(propan-2-ylamino)methyl]aniline
CID 43281508

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-N-ethyl-2-[(2-methylpropylamino)methyl]anilino]ethanol?
The IUPAC name of 2-[3-chloro-N-ethyl-2-[(2-methylpropylamino)methyl]anilino]ethanol (CID 63059873) is 2-[3-chloro-N-ethyl-2-[(2-methylpropylamino)methyl]anilino]ethanol.
What is the SMILES notation for 2-[3-chloro-N-ethyl-2-[(2-methylpropylamino)methyl]anilino]ethanol?
The canonical SMILES for 2-[3-chloro-N-ethyl-2-[(2-methylpropylamino)methyl]anilino]ethanol is CCN(CCO)c1cccc(Cl)c1CNCC(C)C.
What is the InChIKey of 2-[3-chloro-N-ethyl-2-[(2-methylpropylamino)methyl]anilino]ethanol?
The InChIKey is UXQMVNGZEFASTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2O/c1-4-18(8-9-19)15-7-5-6-14(16)13(15)11-17-10-12(2)3/h5-7,12,17,19H,4,8-11H2,1-3H3.
What are the key properties of 2-[3-chloro-N-ethyl-2-[(2-methylpropylamino)methyl]anilino]ethanol?
2-[3-chloro-N-ethyl-2-[(2-methylpropylamino)methyl]anilino]ethanol has a molecular weight of 284.83 g/mol, XLogP of 2.90, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-N-ethyl-2-[(2-methylpropylamino)methyl]anilino]ethanol is sourced from PubChem (CID 63059873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).