(1R)-1-[2-(N,3,5-trimethylanilino)phenyl]propan-1-ol

C18H23NO — CID 103960038

IUPAC(1R)-1-[2-(N,3,5-trimethylanilino)phenyl]propan-1-ol
SMILESCC[C@@H](O)c1ccccc1N(C)c1cc(C)cc(C)c1
InChIInChI=1S/C18H23NO/c1-5-18(20)16-8-6-7-9-17(16)19(4)15-11-13(2)10-14(3)12-15/h6-12,18,20H,5H2,1-4H3/t18-/m1/s1
InChIKeyUSFOBHYBMPATKX-GOSISDBHSA-N
MW269.39 g/mol
LogP4.51
Rot. Bonds4

About (1R)-1-[2-(N,3,5-trimethylanilino)phenyl]propan-1-ol

(1R)-1-[2-(N,3,5-trimethylanilino)phenyl]propan-1-ol (PubChem CID 103960038) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is (1R)-1-[2-(N,3,5-trimethylanilino)phenyl]propan-1-ol.

Molecular Properties

Compound Name(1R)-1-[2-(N,3,5-trimethylanilino)phenyl]propan-1-ol
PubChem CID103960038
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name(1R)-1-[2-(N,3,5-trimethylanilino)phenyl]propan-1-ol
SMILESCC[C@@H](O)c1ccccc1N(C)c1cc(C)cc(C)c1
InChIInChI=1S/C18H23NO/c1-5-18(20)16-8-6-7-9-17(16)19(4)15-11-13(2)10-14(3)12-15/h6-12,18,20H,5H2,1-4H3/t18-/m1/s1
InChIKeyUSFOBHYBMPATKX-GOSISDBHSA-N
XLogP4.51
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[2-(N-methylanilino)phenyl]propan-1-ol
CID 103959642
1-[2-(2-methoxy-N-methylanilino)phenyl]propan-1-ol
CID 115995973
(1S)-1-[2-[methyl-[(3-methylphenyl)methyl]amino]phenyl]propan-1-ol
CID 103959815
(1R)-1-[2-[methyl-[(3-methylphenyl)methyl]amino]phenyl]propan-1-ol
CID 103959816
(1R)-1-[2-[2-methoxyethyl(methyl)amino]phenyl]propan-1-ol
CID 103959855
(1R)-1-(2-methylphenyl)propan-1-ol
CID 10964682
(1S)-1-[2-[(4,4-dimethylcyclohexyl)-methylamino]phenyl]propan-1-ol
CID 103960276
1-[2-[3-methoxypropyl(methyl)amino]phenyl]propan-1-ol
CID 112678949
(1R)-1-[2-[(4-ethylcyclohexyl)-methylamino]phenyl]propan-1-ol
CID 103959896
(1R)-1-[2-(2,3,5-trimethylphenoxy)phenyl]propan-1-ol
CID 103960528
1-[2-(dibutylamino)phenyl]propan-1-ol
CID 22494911
1-[2-[ethyl(propyl)amino]phenyl]propan-1-ol
CID 112678795

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(N,3,5-trimethylanilino)phenyl]propan-1-ol?
The IUPAC name of (1R)-1-[2-(N,3,5-trimethylanilino)phenyl]propan-1-ol (CID 103960038) is (1R)-1-[2-(N,3,5-trimethylanilino)phenyl]propan-1-ol.
What is the SMILES notation for (1R)-1-[2-(N,3,5-trimethylanilino)phenyl]propan-1-ol?
The canonical SMILES for (1R)-1-[2-(N,3,5-trimethylanilino)phenyl]propan-1-ol is CC[C@@H](O)c1ccccc1N(C)c1cc(C)cc(C)c1.
What is the InChIKey of (1R)-1-[2-(N,3,5-trimethylanilino)phenyl]propan-1-ol?
The InChIKey is USFOBHYBMPATKX-GOSISDBHSA-N. The full InChI is InChI=1S/C18H23NO/c1-5-18(20)16-8-6-7-9-17(16)19(4)15-11-13(2)10-14(3)12-15/h6-12,18,20H,5H2,1-4H3/t18-/m1/s1.
What are the key properties of (1R)-1-[2-(N,3,5-trimethylanilino)phenyl]propan-1-ol?
(1R)-1-[2-(N,3,5-trimethylanilino)phenyl]propan-1-ol has a molecular weight of 269.39 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(N,3,5-trimethylanilino)phenyl]propan-1-ol is sourced from PubChem (CID 103960038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).