1-(4-bromophenyl)-3-(N-ethyl-4-methylanilino)propan-1-ol

C18H22BrNO — CID 63488227

IUPAC1-(4-bromophenyl)-3-(N-ethyl-4-methylanilino)propan-1-ol
SMILESCCN(CCC(O)c1ccc(Br)cc1)c1ccc(C)cc1
InChIInChI=1S/C18H22BrNO/c1-3-20(17-10-4-14(2)5-11-17)13-12-18(21)15-6-8-16(19)9-7-15/h4-11,18,21H,3,12-13H2,1-2H3
InChIKeyYKDCVXRBEAXRQI-UHFFFAOYSA-N
MW348.28 g/mol
LogP4.71
Rot. Bonds6

About 1-(4-bromophenyl)-3-(N-ethyl-4-methylanilino)propan-1-ol

1-(4-bromophenyl)-3-(N-ethyl-4-methylanilino)propan-1-ol (PubChem CID 63488227) has the molecular formula C18H22BrNO and a molecular weight of 348.28 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(N-ethyl-4-methylanilino)propan-1-ol.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(N-ethyl-4-methylanilino)propan-1-ol
PubChem CID63488227
Molecular FormulaC18H22BrNO
Molecular Weight348.28 g/mol
Exact Mass347.09
IUPAC Name1-(4-bromophenyl)-3-(N-ethyl-4-methylanilino)propan-1-ol
SMILESCCN(CCC(O)c1ccc(Br)cc1)c1ccc(C)cc1
InChIInChI=1S/C18H22BrNO/c1-3-20(17-10-4-14(2)5-11-17)13-12-18(21)15-6-8-16(19)9-7-15/h4-11,18,21H,3,12-13H2,1-2H3
InChIKeyYKDCVXRBEAXRQI-UHFFFAOYSA-N
XLogP4.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.28
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3-(N-ethyl-4-methylanilino)-1-phenylpropan-1-ol
CID 62613271
3-(N-ethyl-4-methylanilino)-1-(2-methylphenyl)propan-1-ol
CID 62624022
1-(4-chlorophenyl)-3-(N-ethylanilino)propan-1-ol
CID 62645445
3-(dimethylamino)-1-(4-methylphenyl)propan-1-ol
CID 13013916
N-[3-(4-aminophenyl)butyl]-N-ethyl-4-methylaniline
CID 104501623
1-(4-bromophenyl)-N'-ethyl-N'-phenylpropane-1,3-diamine
CID 62618887
4-[[3-hydroxy-3-(4-methylphenyl)propyl]-methylamino]phenol
CID 62617440
1-[4-[butyl(ethyl)amino]phenyl]propan-1-ol
CID 114066751
3-[bis(2-methylpropyl)amino]-1-(4-bromophenyl)propan-1-ol
CID 63487544
2-amino-4-(N-ethyl-4-methylanilino)butanoic acid
CID 63052954
1-(4-chloro-3-methylphenyl)-3-(N-ethylanilino)propan-1-ol
CID 82074609
(1R)-1-(4-bromophenyl)hexan-1-ol
CID 57438971

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(N-ethyl-4-methylanilino)propan-1-ol?
The IUPAC name of 1-(4-bromophenyl)-3-(N-ethyl-4-methylanilino)propan-1-ol (CID 63488227) is 1-(4-bromophenyl)-3-(N-ethyl-4-methylanilino)propan-1-ol.
What is the SMILES notation for 1-(4-bromophenyl)-3-(N-ethyl-4-methylanilino)propan-1-ol?
The canonical SMILES for 1-(4-bromophenyl)-3-(N-ethyl-4-methylanilino)propan-1-ol is CCN(CCC(O)c1ccc(Br)cc1)c1ccc(C)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-(N-ethyl-4-methylanilino)propan-1-ol?
The InChIKey is YKDCVXRBEAXRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO/c1-3-20(17-10-4-14(2)5-11-17)13-12-18(21)15-6-8-16(19)9-7-15/h4-11,18,21H,3,12-13H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-3-(N-ethyl-4-methylanilino)propan-1-ol?
1-(4-bromophenyl)-3-(N-ethyl-4-methylanilino)propan-1-ol has a molecular weight of 348.28 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(N-ethyl-4-methylanilino)propan-1-ol is sourced from PubChem (CID 63488227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).