1-(N-phenylanilino)-3-propan-2-yloxypropan-2-ol

C18H23NO2 — CID 53355364

IUPAC1-(N-phenylanilino)-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CN(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H23NO2/c1-15(2)21-14-18(20)13-19(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,15,18,20H,13-14H2,1-2H3
InChIKeyDQYFANRCIOECCZ-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.61
Rot. Bonds7

About 1-(N-phenylanilino)-3-propan-2-yloxypropan-2-ol

1-(N-phenylanilino)-3-propan-2-yloxypropan-2-ol (PubChem CID 53355364) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(N-phenylanilino)-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-(N-phenylanilino)-3-propan-2-yloxypropan-2-ol
PubChem CID53355364
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name1-(N-phenylanilino)-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CN(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H23NO2/c1-15(2)21-14-18(20)13-19(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,15,18,20H,13-14H2,1-2H3
InChIKeyDQYFANRCIOECCZ-UHFFFAOYSA-N
XLogP3.61
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-2-hydroxy-3-(N-phenylanilino)propyl]-dimethyl-propan-2-ylazanium
CID 800954
[(2R)-2-hydroxy-3-(N-phenylanilino)propyl]azanium
CID 7337949
1-[benzyl(butan-2-yl)amino]-3-propan-2-yloxypropan-2-ol
CID 24713906
[(2S)-2-hydroxy-3-(N-phenylanilino)propyl]-methylazanium
CID 7219591
(2R)-1-[benzyl(2-hydroxyethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 95358395
1-[methyl-(4-phenylcyclohexyl)amino]-3-propan-2-yloxypropan-2-ol
CID 78896602
1-phenylsulfanyl-3-propan-2-yloxypropan-2-ol
CID 60670968
1-anilino-3-propan-2-yloxypropan-2-ol
CID 2880916
1-[2-(2-methoxyphenoxy)ethyl-methylamino]-3-propan-2-yloxypropan-2-ol
CID 78896461
1-[benzyl-(2-hydroxy-1-phenylethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 167933634
1-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-3-propan-2-yloxypropan-2-ol
CID 78845798
(2S)-1-[(2-methylphenyl)methyl-propan-2-ylamino]-3-propan-2-yloxypropan-2-ol
CID 93164988

Frequently Asked Questions

What is the IUPAC name of 1-(N-phenylanilino)-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-(N-phenylanilino)-3-propan-2-yloxypropan-2-ol (CID 53355364) is 1-(N-phenylanilino)-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-(N-phenylanilino)-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-(N-phenylanilino)-3-propan-2-yloxypropan-2-ol is CC(C)OCC(O)CN(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(N-phenylanilino)-3-propan-2-yloxypropan-2-ol?
The InChIKey is DQYFANRCIOECCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-15(2)21-14-18(20)13-19(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,15,18,20H,13-14H2,1-2H3.
What are the key properties of 1-(N-phenylanilino)-3-propan-2-yloxypropan-2-ol?
1-(N-phenylanilino)-3-propan-2-yloxypropan-2-ol has a molecular weight of 285.39 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N-phenylanilino)-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 53355364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).