1-(4-chloro-N-ethylanilino)propan-2-ol

C11H16ClNO — CID 174579431

IUPAC1-(4-chloro-N-ethylanilino)propan-2-ol
SMILESCCN(CC(C)O)c1ccc(Cl)cc1
InChIInChI=1S/C11H16ClNO/c1-3-13(8-9(2)14)11-6-4-10(12)5-7-11/h4-7,9,14H,3,8H2,1-2H3
InChIKeyJADKCZFVMFSWLB-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.55
Rot. Bonds4

About 1-(4-chloro-N-ethylanilino)propan-2-ol

1-(4-chloro-N-ethylanilino)propan-2-ol (PubChem CID 174579431) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 1-(4-chloro-N-ethylanilino)propan-2-ol.

Molecular Properties

Compound Name1-(4-chloro-N-ethylanilino)propan-2-ol
PubChem CID174579431
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name1-(4-chloro-N-ethylanilino)propan-2-ol
SMILESCCN(CC(C)O)c1ccc(Cl)cc1
InChIInChI=1S/C11H16ClNO/c1-3-13(8-9(2)14)11-6-4-10(12)5-7-11/h4-7,9,14H,3,8H2,1-2H3
InChIKeyJADKCZFVMFSWLB-UHFFFAOYSA-N
XLogP2.55
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenyl)-1-ethyl-1-[(2R)-2-hydroxypropyl]urea
CID 94777007
(2S)-1-[4-(diethylamino)phenyl]propan-2-ol
CID 94776344
1-[4-[ethyl(2-methylpropyl)amino]phenyl]propan-1-ol
CID 114066768
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
1-(4-chlorophenyl)-3-(N-ethylanilino)propan-1-ol
CID 62645445
2-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]acetamide
CID 100610001
4-[(4-chloroanilino)-[4-(diethylamino)phenyl]methyl]-N,N-diethylaniline
CID 20537704
3-(N-ethyl-4-propan-2-ylanilino)-2-methylpropanoic acid
CID 82318873
N-buta-2,3-dienyl-4-chloro-N-ethylaniline
CID 11031031
1-[bis[2-(4-chlorophenyl)ethyl]amino]propan-2-ol;ethane
CID 144747733
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride
CID 70262837
(2R)-1-[N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]anilino]propan-2-ol
CID 94824043

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-N-ethylanilino)propan-2-ol?
The IUPAC name of 1-(4-chloro-N-ethylanilino)propan-2-ol (CID 174579431) is 1-(4-chloro-N-ethylanilino)propan-2-ol.
What is the SMILES notation for 1-(4-chloro-N-ethylanilino)propan-2-ol?
The canonical SMILES for 1-(4-chloro-N-ethylanilino)propan-2-ol is CCN(CC(C)O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chloro-N-ethylanilino)propan-2-ol?
The InChIKey is JADKCZFVMFSWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO/c1-3-13(8-9(2)14)11-6-4-10(12)5-7-11/h4-7,9,14H,3,8H2,1-2H3.
What are the key properties of 1-(4-chloro-N-ethylanilino)propan-2-ol?
1-(4-chloro-N-ethylanilino)propan-2-ol has a molecular weight of 213.71 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-N-ethylanilino)propan-2-ol is sourced from PubChem (CID 174579431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).