1-[4-chloro-2-[(cyclopropylamino)methyl]-N-ethylanilino]-2-methylpropan-2-ol

C16H25ClN2O — CID 114852410

IUPAC1-[4-chloro-2-[(cyclopropylamino)methyl]-N-ethylanilino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1ccc(Cl)cc1CNC1CC1
InChIInChI=1S/C16H25ClN2O/c1-4-19(11-16(2,3)20)15-8-5-13(17)9-12(15)10-18-14-6-7-14/h5,8-9,14,18,20H,4,6-7,10-11H2,1-3H3
InChIKeyJLAVTZGJTCXTFT-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.19
Rot. Bonds7

About 1-[4-chloro-2-[(cyclopropylamino)methyl]-N-ethylanilino]-2-methylpropan-2-ol

1-[4-chloro-2-[(cyclopropylamino)methyl]-N-ethylanilino]-2-methylpropan-2-ol (PubChem CID 114852410) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 1-[4-chloro-2-[(cyclopropylamino)methyl]-N-ethylanilino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-chloro-2-[(cyclopropylamino)methyl]-N-ethylanilino]-2-methylpropan-2-ol
PubChem CID114852410
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name1-[4-chloro-2-[(cyclopropylamino)methyl]-N-ethylanilino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1ccc(Cl)cc1CNC1CC1
InChIInChI=1S/C16H25ClN2O/c1-4-19(11-16(2,3)20)15-8-5-13(17)9-12(15)10-18-14-6-7-14/h5,8-9,14,18,20H,4,6-7,10-11H2,1-3H3
InChIKeyJLAVTZGJTCXTFT-UHFFFAOYSA-N
XLogP3.19
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-[(cyclopropylamino)methyl]-N-ethyl-N-(thiophen-2-ylmethyl)aniline
CID 114849046
N'-[4-chloro-2-[(cyclopropylamino)methyl]phenyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 114850409
4-chloro-2-[(cyclopropylamino)methyl]-N,N-bis(2-methoxyethyl)aniline
CID 114848806
2-[(tert-butylamino)methyl]-4-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)aniline
CID 114850191
N-butyl-4-chloro-2-[(cyclopropylamino)methyl]-N-methylaniline
CID 114847398
5-[4-chloro-2-[(cyclopropylamino)methyl]-N-methylanilino]pentan-1-ol
CID 107201198
N-[(5-chloro-2-fluorophenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 114841579
4-chloro-2-[(cyclopropylamino)methyl]-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 114848346
5-chloro-N-cyclopentyl-2-[(cyclopropylamino)methyl]-N-ethylaniline
CID 114848269
4-chloro-N-ethyl-2-(methylaminomethyl)-N-propylaniline
CID 114847967
N-[(2,5-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine
CID 65316024
4-chloro-2-[(cyclopropylamino)methyl]-N-(3-fluorophenyl)-N-methylaniline
CID 114850525

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-[(cyclopropylamino)methyl]-N-ethylanilino]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-chloro-2-[(cyclopropylamino)methyl]-N-ethylanilino]-2-methylpropan-2-ol (CID 114852410) is 1-[4-chloro-2-[(cyclopropylamino)methyl]-N-ethylanilino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-chloro-2-[(cyclopropylamino)methyl]-N-ethylanilino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-chloro-2-[(cyclopropylamino)methyl]-N-ethylanilino]-2-methylpropan-2-ol is CCN(CC(C)(C)O)c1ccc(Cl)cc1CNC1CC1.
What is the InChIKey of 1-[4-chloro-2-[(cyclopropylamino)methyl]-N-ethylanilino]-2-methylpropan-2-ol?
The InChIKey is JLAVTZGJTCXTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-4-19(11-16(2,3)20)15-8-5-13(17)9-12(15)10-18-14-6-7-14/h5,8-9,14,18,20H,4,6-7,10-11H2,1-3H3.
What are the key properties of 1-[4-chloro-2-[(cyclopropylamino)methyl]-N-ethylanilino]-2-methylpropan-2-ol?
1-[4-chloro-2-[(cyclopropylamino)methyl]-N-ethylanilino]-2-methylpropan-2-ol has a molecular weight of 296.84 g/mol, XLogP of 3.19, 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-[(cyclopropylamino)methyl]-N-ethylanilino]-2-methylpropan-2-ol is sourced from PubChem (CID 114852410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).