1-[(4-methoxyphenyl)methylamino]-3-phenylmethoxypropan-2-ol

C18H23NO3 — CID 170992001

IUPAC1-[(4-methoxyphenyl)methylamino]-3-phenylmethoxypropan-2-ol
SMILESCOc1ccc(CNCC(O)COCc2ccccc2)cc1
InChIInChI=1S/C18H23NO3/c1-21-18-9-7-15(8-10-18)11-19-12-17(20)14-22-13-16-5-3-2-4-6-16/h2-10,17,19-20H,11-14H2,1H3
InChIKeyZIVLALDUWVHIFX-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.36
Rot. Bonds9

About 1-[(4-methoxyphenyl)methylamino]-3-phenylmethoxypropan-2-ol

1-[(4-methoxyphenyl)methylamino]-3-phenylmethoxypropan-2-ol (PubChem CID 170992001) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methylamino]-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methylamino]-3-phenylmethoxypropan-2-ol
PubChem CID170992001
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name1-[(4-methoxyphenyl)methylamino]-3-phenylmethoxypropan-2-ol
SMILESCOc1ccc(CNCC(O)COCc2ccccc2)cc1
InChIInChI=1S/C18H23NO3/c1-21-18-9-7-15(8-10-18)11-19-12-17(20)14-22-13-16-5-3-2-4-6-16/h2-10,17,19-20H,11-14H2,1H3
InChIKeyZIVLALDUWVHIFX-UHFFFAOYSA-N
XLogP2.36
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(benzylamino)-3-phenylmethoxypropan-2-ol
CID 10707267
1-[(4-methylphenyl)methylamino]-3-phenylmethoxypropan-2-ol
CID 60632327
1-[4-[(2-methylpropylamino)methyl]phenoxy]-3-phenylmethoxypropan-2-ol
CID 113235681
1-(benzylamino)-3-(2-methoxyethoxy)propan-2-ol
CID 106989015
1-[(4-methoxyphenyl)methylamino]butan-2-ol
CID 23060649
1-[(3-bromophenyl)methylamino]-3-phenylmethoxypropan-2-ol
CID 61401206
1-(benzylamino)-3-[3-[3-(benzylamino)-2-hydroxypropoxy]-2,2-dimethylpropoxy]propan-2-ol
CID 42614671
1-(2,2-difluoroethylamino)-3-phenylmethoxypropan-2-ol
CID 115406795
(2S)-1-(2-phenylethylamino)-3-phenylmethoxypropan-2-ol
CID 93381144
(2R)-1-benzylsulfonyl-3-[(4-methoxyphenyl)methoxy]propan-2-ol
CID 6977010
1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-phenylmethoxypropan-2-ol
CID 102417589
(2R,3S)-3-amino-1-[(4-methoxyphenyl)methylamino]-4-phenylbutan-2-ol
CID 68608457

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methylamino]-3-phenylmethoxypropan-2-ol?
The IUPAC name of 1-[(4-methoxyphenyl)methylamino]-3-phenylmethoxypropan-2-ol (CID 170992001) is 1-[(4-methoxyphenyl)methylamino]-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for 1-[(4-methoxyphenyl)methylamino]-3-phenylmethoxypropan-2-ol?
The canonical SMILES for 1-[(4-methoxyphenyl)methylamino]-3-phenylmethoxypropan-2-ol is COc1ccc(CNCC(O)COCc2ccccc2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methylamino]-3-phenylmethoxypropan-2-ol?
The InChIKey is ZIVLALDUWVHIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-21-18-9-7-15(8-10-18)11-19-12-17(20)14-22-13-16-5-3-2-4-6-16/h2-10,17,19-20H,11-14H2,1H3.
What are the key properties of 1-[(4-methoxyphenyl)methylamino]-3-phenylmethoxypropan-2-ol?
1-[(4-methoxyphenyl)methylamino]-3-phenylmethoxypropan-2-ol has a molecular weight of 301.39 g/mol, XLogP of 2.36, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methylamino]-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 170992001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).