1-(dimethylamino)-3-[4-[(3-methylphenyl)methylamino]phenoxy]propan-2-ol

C19H26N2O2 — CID 111336489

IUPAC1-(dimethylamino)-3-[4-[(3-methylphenyl)methylamino]phenoxy]propan-2-ol
SMILESCc1cccc(CNc2ccc(OCC(O)CN(C)C)cc2)c1
InChIInChI=1S/C19H26N2O2/c1-15-5-4-6-16(11-15)12-20-17-7-9-19(10-8-17)23-14-18(22)13-21(2)3/h4-11,18,20,22H,12-14H2,1-3H3
InChIKeyGMAKIOUJGABIMM-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.91
Rot. Bonds8

About 1-(dimethylamino)-3-[4-[(3-methylphenyl)methylamino]phenoxy]propan-2-ol

1-(dimethylamino)-3-[4-[(3-methylphenyl)methylamino]phenoxy]propan-2-ol (PubChem CID 111336489) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-(dimethylamino)-3-[4-[(3-methylphenyl)methylamino]phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-3-[4-[(3-methylphenyl)methylamino]phenoxy]propan-2-ol
PubChem CID111336489
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name1-(dimethylamino)-3-[4-[(3-methylphenyl)methylamino]phenoxy]propan-2-ol
SMILESCc1cccc(CNc2ccc(OCC(O)CN(C)C)cc2)c1
InChIInChI=1S/C19H26N2O2/c1-15-5-4-6-16(11-15)12-20-17-7-9-19(10-8-17)23-14-18(22)13-21(2)3/h4-11,18,20,22H,12-14H2,1-3H3
InChIKeyGMAKIOUJGABIMM-UHFFFAOYSA-N
XLogP2.91
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(dimethylamino)-3-[4-[(4-ethylphenyl)methylamino]phenoxy]propan-2-ol
CID 111336525
1-[4-[(4-chlorophenyl)methylamino]phenoxy]-3-(dimethylamino)propan-2-ol
CID 111336503
1-[4-[(2-chlorophenyl)methylamino]phenoxy]-3-(dimethylamino)propan-2-ol
CID 111336516
1-(4-fluorophenoxy)-3-[(3-methylphenyl)methylamino]propan-2-ol
CID 60729279
1-benzyl-3-[4-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]phenyl]urea
CID 94813696
1-(dimethylamino)-3-[4-(pyrimidin-2-ylamino)phenoxy]propan-2-ol
CID 158905883
1-[(4-methoxyphenyl)methyl-[(3-methylphenyl)methyl]amino]-3-phenoxypropan-2-ol
CID 24717291
(2R)-1-(4-aminophenoxy)-3-(dimethylamino)propan-2-ol
CID 51863667
1-(N-ethyl-3-methylanilino)-3-[4-[3-(N-ethyl-3-methylanilino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 19133401
(2R)-1-[[(2R)-butan-2-yl]-[(3-methylphenyl)methyl]amino]-3-(4-chlorophenoxy)propan-2-ol
CID 99732489
(2S)-1-(4-methoxyphenoxy)-3-[3-methylbutyl-[(3-methylphenyl)methyl]amino]propan-2-ol
CID 93163150
1-[butan-2-yl-[(3-methylphenyl)methyl]amino]-3-phenoxypropan-2-ol
CID 24717307

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-[4-[(3-methylphenyl)methylamino]phenoxy]propan-2-ol?
The IUPAC name of 1-(dimethylamino)-3-[4-[(3-methylphenyl)methylamino]phenoxy]propan-2-ol (CID 111336489) is 1-(dimethylamino)-3-[4-[(3-methylphenyl)methylamino]phenoxy]propan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-3-[4-[(3-methylphenyl)methylamino]phenoxy]propan-2-ol?
The canonical SMILES for 1-(dimethylamino)-3-[4-[(3-methylphenyl)methylamino]phenoxy]propan-2-ol is Cc1cccc(CNc2ccc(OCC(O)CN(C)C)cc2)c1.
What is the InChIKey of 1-(dimethylamino)-3-[4-[(3-methylphenyl)methylamino]phenoxy]propan-2-ol?
The InChIKey is GMAKIOUJGABIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-15-5-4-6-16(11-15)12-20-17-7-9-19(10-8-17)23-14-18(22)13-21(2)3/h4-11,18,20,22H,12-14H2,1-3H3.
What are the key properties of 1-(dimethylamino)-3-[4-[(3-methylphenyl)methylamino]phenoxy]propan-2-ol?
1-(dimethylamino)-3-[4-[(3-methylphenyl)methylamino]phenoxy]propan-2-ol has a molecular weight of 314.43 g/mol, XLogP of 2.91, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-[4-[(3-methylphenyl)methylamino]phenoxy]propan-2-ol is sourced from PubChem (CID 111336489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).