3-(N-ethyl-4-methylanilino)-1-phenylpropan-1-ol

C18H23NO — CID 62613271

IUPAC3-(N-ethyl-4-methylanilino)-1-phenylpropan-1-ol
SMILESCCN(CCC(O)c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C18H23NO/c1-3-19(17-11-9-15(2)10-12-17)14-13-18(20)16-7-5-4-6-8-16/h4-12,18,20H,3,13-14H2,1-2H3
InChIKeyVXIJOBDNSVJRQP-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.95
Rot. Bonds6

About 3-(N-ethyl-4-methylanilino)-1-phenylpropan-1-ol

3-(N-ethyl-4-methylanilino)-1-phenylpropan-1-ol (PubChem CID 62613271) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-(N-ethyl-4-methylanilino)-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-(N-ethyl-4-methylanilino)-1-phenylpropan-1-ol
PubChem CID62613271
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name3-(N-ethyl-4-methylanilino)-1-phenylpropan-1-ol
SMILESCCN(CCC(O)c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C18H23NO/c1-3-19(17-11-9-15(2)10-12-17)14-13-18(20)16-7-5-4-6-8-16/h4-12,18,20H,3,13-14H2,1-2H3
InChIKeyVXIJOBDNSVJRQP-UHFFFAOYSA-N
XLogP3.95
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.95
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

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-chlorophenyl)-3-(N-ethylanilino)propan-1-ol
CID 62645445
1-(4-chloro-3-methylphenyl)-3-(N-ethylanilino)propan-1-ol
CID 82074609
3-(N-methylanilino)-1-(4-methylphenyl)propan-1-ol
CID 62617951
3-(N-ethylanilino)-1-[4-(2-methylpropoxy)phenyl]propan-1-ol
CID 82073791
3-[methyl-[(4-methylphenyl)methyl]amino]-1-phenylpropan-1-ol
CID 62612269
2-amino-4-(N-ethyl-4-methylanilino)butanoic acid
CID 63052954
2-(N-butylanilino)-1-(4-methylphenyl)ethanol
CID 64585032
3-[tert-butyl(ethyl)amino]-1-phenylpropan-1-ol
CID 82074488
3-[butan-2-yl(ethyl)amino]-1-phenylpropan-1-ol
CID 62613917
N-[3-(4-aminophenyl)butyl]-N-ethyl-4-methylaniline
CID 104501623

Frequently Asked Questions

What is the IUPAC name of 3-(N-ethyl-4-methylanilino)-1-phenylpropan-1-ol?
The IUPAC name of 3-(N-ethyl-4-methylanilino)-1-phenylpropan-1-ol (CID 62613271) is 3-(N-ethyl-4-methylanilino)-1-phenylpropan-1-ol.
What is the SMILES notation for 3-(N-ethyl-4-methylanilino)-1-phenylpropan-1-ol?
The canonical SMILES for 3-(N-ethyl-4-methylanilino)-1-phenylpropan-1-ol is CCN(CCC(O)c1ccccc1)c1ccc(C)cc1.
What is the InChIKey of 3-(N-ethyl-4-methylanilino)-1-phenylpropan-1-ol?
The InChIKey is VXIJOBDNSVJRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-3-19(17-11-9-15(2)10-12-17)14-13-18(20)16-7-5-4-6-8-16/h4-12,18,20H,3,13-14H2,1-2H3.
What are the key properties of 3-(N-ethyl-4-methylanilino)-1-phenylpropan-1-ol?
3-(N-ethyl-4-methylanilino)-1-phenylpropan-1-ol has a molecular weight of 269.39 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-ethyl-4-methylanilino)-1-phenylpropan-1-ol is sourced from PubChem (CID 62613271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).