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

C18H23NO2 — CID 60632327

IUPAC1-[(4-methylphenyl)methylamino]-3-phenylmethoxypropan-2-ol
SMILESCc1ccc(CNCC(O)COCc2ccccc2)cc1
InChIInChI=1S/C18H23NO2/c1-15-7-9-16(10-8-15)11-19-12-18(20)14-21-13-17-5-3-2-4-6-17/h2-10,18-20H,11-14H2,1H3
InChIKeyDOYJNZKLRQHUBS-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.66
Rot. Bonds8

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

1-[(4-methylphenyl)methylamino]-3-phenylmethoxypropan-2-ol (PubChem CID 60632327) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methylamino]-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name1-[(4-methylphenyl)methylamino]-3-phenylmethoxypropan-2-ol
PubChem CID60632327
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name1-[(4-methylphenyl)methylamino]-3-phenylmethoxypropan-2-ol
SMILESCc1ccc(CNCC(O)COCc2ccccc2)cc1
InChIInChI=1S/C18H23NO2/c1-15-7-9-16(10-8-15)11-19-12-18(20)14-21-13-17-5-3-2-4-6-17/h2-10,18-20H,11-14H2,1H3
InChIKeyDOYJNZKLRQHUBS-UHFFFAOYSA-N
XLogP2.66
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(benzylamino)-3-phenylmethoxypropan-2-ol
CID 10707267
1-[(4-methoxyphenyl)methylamino]-3-phenylmethoxypropan-2-ol
CID 170992001
1-[(4-methylphenyl)methylamino]-3-phenoxypropan-2-ol
CID 54856606
1-[(4-methylphenyl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 60632328
1-(2-ethoxyethoxy)-3-[(4-methylphenyl)methylamino]propan-2-ol
CID 60632375
1-[1-(4-methylphenyl)ethylamino]-3-phenylmethoxypropan-2-ol
CID 110904741
1-[(3-bromophenyl)methylamino]-3-phenylmethoxypropan-2-ol
CID 61401206
1-[4-[(2-methylpropylamino)methyl]phenoxy]-3-phenylmethoxypropan-2-ol
CID 113235681
1-(benzylamino)-3-(2-methoxyethoxy)propan-2-ol
CID 106989015
1-(benzylamino)-3-[3-[3-(benzylamino)-2-hydroxypropoxy]-2,2-dimethylpropoxy]propan-2-ol
CID 42614671
1-(2-methylphenoxy)-3-[(4-methylphenyl)methylamino]propan-2-ol
CID 60632285
(2S)-1-(2-phenylethylamino)-3-phenylmethoxypropan-2-ol
CID 93381144

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methylamino]-3-phenylmethoxypropan-2-ol?
The IUPAC name of 1-[(4-methylphenyl)methylamino]-3-phenylmethoxypropan-2-ol (CID 60632327) is 1-[(4-methylphenyl)methylamino]-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for 1-[(4-methylphenyl)methylamino]-3-phenylmethoxypropan-2-ol?
The canonical SMILES for 1-[(4-methylphenyl)methylamino]-3-phenylmethoxypropan-2-ol is Cc1ccc(CNCC(O)COCc2ccccc2)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methylamino]-3-phenylmethoxypropan-2-ol?
The InChIKey is DOYJNZKLRQHUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-15-7-9-16(10-8-15)11-19-12-18(20)14-21-13-17-5-3-2-4-6-17/h2-10,18-20H,11-14H2,1H3.
What are the key properties of 1-[(4-methylphenyl)methylamino]-3-phenylmethoxypropan-2-ol?
1-[(4-methylphenyl)methylamino]-3-phenylmethoxypropan-2-ol has a molecular weight of 285.39 g/mol, XLogP of 2.66, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methylamino]-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 60632327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).