1-[4-(diethylamino)anilino]-3-phenylmethoxypropan-2-ol

C20H28N2O2 — CID 113231396

IUPAC1-[4-(diethylamino)anilino]-3-phenylmethoxypropan-2-ol
SMILESCCN(CC)c1ccc(NCC(O)COCc2ccccc2)cc1
InChIInChI=1S/C20H28N2O2/c1-3-22(4-2)19-12-10-18(11-13-19)21-14-20(23)16-24-15-17-8-6-5-7-9-17/h5-13,20-21,23H,3-4,14-16H2,1-2H3
InChIKeyURRURWIRSVLEHW-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.52
Rot. Bonds10

About 1-[4-(diethylamino)anilino]-3-phenylmethoxypropan-2-ol

1-[4-(diethylamino)anilino]-3-phenylmethoxypropan-2-ol (PubChem CID 113231396) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 1-[4-(diethylamino)anilino]-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name1-[4-(diethylamino)anilino]-3-phenylmethoxypropan-2-ol
PubChem CID113231396
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name1-[4-(diethylamino)anilino]-3-phenylmethoxypropan-2-ol
SMILESCCN(CC)c1ccc(NCC(O)COCc2ccccc2)cc1
InChIInChI=1S/C20H28N2O2/c1-3-22(4-2)19-12-10-18(11-13-19)21-14-20(23)16-24-15-17-8-6-5-7-9-17/h5-13,20-21,23H,3-4,14-16H2,1-2H3
InChIKeyURRURWIRSVLEHW-UHFFFAOYSA-N
XLogP3.52
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-[(2-methylpropan-2-yl)oxyamino]-3-phenylmethoxypropan-2-ol
CID 82723320
1-(2-methylpentan-3-ylamino)-3-phenylmethoxypropan-2-ol
CID 61469295
(2S)-1-(benzylamino)-3-phenylmethoxypropan-2-ol
CID 10707267
2-[(2-hydroxy-3-phenylmethoxypropyl)amino]-2-methylbutanoic acid
CID 79788909
(2R)-1-phenylmethoxy-3-(prop-2-enylamino)propan-2-ol
CID 118006903
4-[4-[(2-hydroxy-3-phenylmethoxypropyl)amino]phenyl]morpholin-3-one
CID 123840212
1-(2-bromo-4-methylanilino)-3-phenylmethoxypropan-2-ol
CID 60898020
3-[(2-hydroxy-3-phenylmethoxypropyl)amino]-3-methylpentan-1-ol
CID 106175193
(2S)-1-(2-phenylethylamino)-3-phenylmethoxypropan-2-ol
CID 93381144
1-(2,2-difluoroethylamino)-3-phenylmethoxypropan-2-ol
CID 115406795
3-[4-(diethylamino)anilino]-2-methylpropanoic acid
CID 63179842
1-[4-[3-(2-ethoxyethoxy)-5-thiophen-2-yl-1,2,4-triazol-1-yl]anilino]-3-phenylmethoxypropan-2-ol
CID 46014117

Frequently Asked Questions

What is the IUPAC name of 1-[4-(diethylamino)anilino]-3-phenylmethoxypropan-2-ol?
The IUPAC name of 1-[4-(diethylamino)anilino]-3-phenylmethoxypropan-2-ol (CID 113231396) is 1-[4-(diethylamino)anilino]-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for 1-[4-(diethylamino)anilino]-3-phenylmethoxypropan-2-ol?
The canonical SMILES for 1-[4-(diethylamino)anilino]-3-phenylmethoxypropan-2-ol is CCN(CC)c1ccc(NCC(O)COCc2ccccc2)cc1.
What is the InChIKey of 1-[4-(diethylamino)anilino]-3-phenylmethoxypropan-2-ol?
The InChIKey is URRURWIRSVLEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-3-22(4-2)19-12-10-18(11-13-19)21-14-20(23)16-24-15-17-8-6-5-7-9-17/h5-13,20-21,23H,3-4,14-16H2,1-2H3.
What are the key properties of 1-[4-(diethylamino)anilino]-3-phenylmethoxypropan-2-ol?
1-[4-(diethylamino)anilino]-3-phenylmethoxypropan-2-ol has a molecular weight of 328.46 g/mol, XLogP of 3.52, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(diethylamino)anilino]-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 113231396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).