1-(4-chloro-3-methylphenyl)-3-(N-ethylanilino)propan-1-ol

C18H22ClNO — CID 82074609

IUPAC1-(4-chloro-3-methylphenyl)-3-(N-ethylanilino)propan-1-ol
SMILESCCN(CCC(O)c1ccc(Cl)c(C)c1)c1ccccc1
InChIInChI=1S/C18H22ClNO/c1-3-20(16-7-5-4-6-8-16)12-11-18(21)15-9-10-17(19)14(2)13-15/h4-10,13,18,21H,3,11-12H2,1-2H3
InChIKeyCDZBAUMTCFOJQY-UHFFFAOYSA-N
MW303.83 g/mol
LogP4.60
Rot. Bonds6

About 1-(4-chloro-3-methylphenyl)-3-(N-ethylanilino)propan-1-ol

1-(4-chloro-3-methylphenyl)-3-(N-ethylanilino)propan-1-ol (PubChem CID 82074609) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is 1-(4-chloro-3-methylphenyl)-3-(N-ethylanilino)propan-1-ol.

Molecular Properties

Compound Name1-(4-chloro-3-methylphenyl)-3-(N-ethylanilino)propan-1-ol
PubChem CID82074609
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Name1-(4-chloro-3-methylphenyl)-3-(N-ethylanilino)propan-1-ol
SMILESCCN(CCC(O)c1ccc(Cl)c(C)c1)c1ccccc1
InChIInChI=1S/C18H22ClNO/c1-3-20(16-7-5-4-6-8-16)12-11-18(21)15-9-10-17(19)14(2)13-15/h4-10,13,18,21H,3,11-12H2,1-2H3
InChIKeyCDZBAUMTCFOJQY-UHFFFAOYSA-N
XLogP4.60
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-3-(N-ethylanilino)propan-1-ol
CID 62645445
1-(4-chloro-3-methylphenyl)-3-(diethylamino)propan-1-ol
CID 82074586
3-(N-ethyl-4-methylanilino)-1-phenylpropan-1-ol
CID 62613271
1-(4-chloro-3-methylphenyl)hexan-1-ol
CID 115784456
1-(4-chloro-3-methylphenyl)nonan-1-ol
CID 115784046
3-(N-ethylanilino)-1-[4-(2-methylpropoxy)phenyl]propan-1-ol
CID 82073791
3-(N-ethylanilino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-ol
CID 82074064
(1S)-2-amino-1-(4-chloro-3-methylphenyl)ethanol
CID 95944344
1-(4-bromophenyl)-3-(N-ethyl-4-methylanilino)propan-1-ol
CID 63488227
3-(N-ethyl-4-methylanilino)-1-(2-methylphenyl)propan-1-ol
CID 62624022
1-(4-chloro-3-methylphenyl)hex-5-en-1-ol
CID 115804467
1-(4-chloro-3-methylphenyl)-4-methylsulfonylbutan-1-ol
CID 115780257

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methylphenyl)-3-(N-ethylanilino)propan-1-ol?
The IUPAC name of 1-(4-chloro-3-methylphenyl)-3-(N-ethylanilino)propan-1-ol (CID 82074609) is 1-(4-chloro-3-methylphenyl)-3-(N-ethylanilino)propan-1-ol.
What is the SMILES notation for 1-(4-chloro-3-methylphenyl)-3-(N-ethylanilino)propan-1-ol?
The canonical SMILES for 1-(4-chloro-3-methylphenyl)-3-(N-ethylanilino)propan-1-ol is CCN(CCC(O)c1ccc(Cl)c(C)c1)c1ccccc1.
What is the InChIKey of 1-(4-chloro-3-methylphenyl)-3-(N-ethylanilino)propan-1-ol?
The InChIKey is CDZBAUMTCFOJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-3-20(16-7-5-4-6-8-16)12-11-18(21)15-9-10-17(19)14(2)13-15/h4-10,13,18,21H,3,11-12H2,1-2H3.
What are the key properties of 1-(4-chloro-3-methylphenyl)-3-(N-ethylanilino)propan-1-ol?
1-(4-chloro-3-methylphenyl)-3-(N-ethylanilino)propan-1-ol has a molecular weight of 303.83 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methylphenyl)-3-(N-ethylanilino)propan-1-ol is sourced from PubChem (CID 82074609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).