1-(4-chloro-2-ethyl-N-methylanilino)propan-1-ol

C12H18ClNO — CID 146429258

IUPAC1-(4-chloro-2-ethyl-N-methylanilino)propan-1-ol
SMILESCCc1cc(Cl)ccc1N(C)C(O)CC
InChIInChI=1S/C12H18ClNO/c1-4-9-8-10(13)6-7-11(9)14(3)12(15)5-2/h6-8,12,15H,4-5H2,1-3H3
InChIKeyPXMJMYRFNQAWKI-UHFFFAOYSA-N
MW227.73 g/mol
LogP3.07
Rot. Bonds4

About 1-(4-chloro-2-ethyl-N-methylanilino)propan-1-ol

1-(4-chloro-2-ethyl-N-methylanilino)propan-1-ol (PubChem CID 146429258) has the molecular formula C12H18ClNO and a molecular weight of 227.73 g/mol. Its IUPAC name is 1-(4-chloro-2-ethyl-N-methylanilino)propan-1-ol.

Molecular Properties

Compound Name1-(4-chloro-2-ethyl-N-methylanilino)propan-1-ol
PubChem CID146429258
Molecular FormulaC12H18ClNO
Molecular Weight227.73 g/mol
Exact Mass227.11
IUPAC Name1-(4-chloro-2-ethyl-N-methylanilino)propan-1-ol
SMILESCCc1cc(Cl)ccc1N(C)C(O)CC
InChIInChI=1S/C12H18ClNO/c1-4-9-8-10(13)6-7-11(9)14(3)12(15)5-2/h6-8,12,15H,4-5H2,1-3H3
InChIKeyPXMJMYRFNQAWKI-UHFFFAOYSA-N
XLogP3.07
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.73
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[5-chloro-2-[methyl(propan-2-yl)amino]phenyl]methanol
CID 114845155
4-chloro-2-(chloromethyl)-N-methyl-N-propan-2-ylaniline
CID 114846318
2-(2-aminobutyl)-4-chloro-N-methyl-N-pentan-3-ylaniline
CID 114860632
2-(2-aminoethyl)-4-chloro-N-methyl-N-propan-2-ylaniline
CID 114860357
[2-[butan-2-yl(methyl)amino]-4-chlorophenyl]methanol
CID 114845222
2-(2-aminopropyl)-4-chloro-N-methyl-N-(4-methylsulfanylbutan-2-yl)aniline
CID 114862282
2-[5-chloro-2-(hydroxymethyl)-N-methylanilino]propan-1-ol
CID 114845855
[5-chloro-2-[cyclopropyl(methyl)amino]phenyl]methanol
CID 114845206
1-(2,5-dichlorophenyl)-2-hydroxybutan-1-one
CID 103452878
2-(2-aminopropyl)-4-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)aniline
CID 114861946
2-[2-(aminomethyl)-4-chloro-N-methylanilino]acetamide
CID 62495000
4-chloro-2-[methyl(pentan-3-yl)amino]benzaldehyde
CID 114843974

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-ethyl-N-methylanilino)propan-1-ol?
The IUPAC name of 1-(4-chloro-2-ethyl-N-methylanilino)propan-1-ol (CID 146429258) is 1-(4-chloro-2-ethyl-N-methylanilino)propan-1-ol.
What is the SMILES notation for 1-(4-chloro-2-ethyl-N-methylanilino)propan-1-ol?
The canonical SMILES for 1-(4-chloro-2-ethyl-N-methylanilino)propan-1-ol is CCc1cc(Cl)ccc1N(C)C(O)CC.
What is the InChIKey of 1-(4-chloro-2-ethyl-N-methylanilino)propan-1-ol?
The InChIKey is PXMJMYRFNQAWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO/c1-4-9-8-10(13)6-7-11(9)14(3)12(15)5-2/h6-8,12,15H,4-5H2,1-3H3.
What are the key properties of 1-(4-chloro-2-ethyl-N-methylanilino)propan-1-ol?
1-(4-chloro-2-ethyl-N-methylanilino)propan-1-ol has a molecular weight of 227.73 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-ethyl-N-methylanilino)propan-1-ol is sourced from PubChem (CID 146429258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).