N-methyl-1,3-bis(phenylmethoxy)propan-2-amine

C18H23NO2 — CID 20583824

IUPACN-methyl-1,3-bis(phenylmethoxy)propan-2-amine
SMILESCNC(COCc1ccccc1)COCc1ccccc1
InChIInChI=1S/C18H23NO2/c1-19-18(14-20-12-16-8-4-2-5-9-16)15-21-13-17-10-6-3-7-11-17/h2-11,18-19H,12-15H2,1H3
InChIKeyZBBIBPKXPWNSHY-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.01
Rot. Bonds9

About N-methyl-1,3-bis(phenylmethoxy)propan-2-amine

N-methyl-1,3-bis(phenylmethoxy)propan-2-amine (PubChem CID 20583824) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-methyl-1,3-bis(phenylmethoxy)propan-2-amine.

Molecular Properties

Compound NameN-methyl-1,3-bis(phenylmethoxy)propan-2-amine
PubChem CID20583824
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-methyl-1,3-bis(phenylmethoxy)propan-2-amine
SMILESCNC(COCc1ccccc1)COCc1ccccc1
InChIInChI=1S/C18H23NO2/c1-19-18(14-20-12-16-8-4-2-5-9-16)15-21-13-17-10-6-3-7-11-17/h2-11,18-19H,12-15H2,1H3
InChIKeyZBBIBPKXPWNSHY-UHFFFAOYSA-N
XLogP3.01
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methylmethanamine;phenylmethoxymethylbenzene
CID 70181699
(2R)-4-methyl-1-phenylmethoxy-N-propan-2-ylpentan-2-amine
CID 168776237
1-ethoxy-N-methyl-3-phenoxypropan-2-amine
CID 79574032
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
N-ethyl-1-phenylmethoxyhexan-2-amine
CID 131008308
2-benzyl-N-methyl-3-phenylmethoxypropan-1-amine
CID 102940419
ethane;phenylmethoxymethylbenzene
CID 90943549
2,2-dibromoethoxymethylbenzene
CID 14668834
2-phenylmethoxyethane-1,1-diol
CID 59866645
1-phenylmethoxyhex-4-yn-2-ylhydrazine
CID 131186397
2-[(2-methylpropan-2-yl)oxy]propoxymethylbenzene
CID 122595271
[2-(methylamino)-3-phenylmethoxypropyl] 1-ethylpyrrolidine-2-carboxylate
CID 170356926

Frequently Asked Questions

What is the IUPAC name of N-methyl-1,3-bis(phenylmethoxy)propan-2-amine?
The IUPAC name of N-methyl-1,3-bis(phenylmethoxy)propan-2-amine (CID 20583824) is N-methyl-1,3-bis(phenylmethoxy)propan-2-amine.
What is the SMILES notation for N-methyl-1,3-bis(phenylmethoxy)propan-2-amine?
The canonical SMILES for N-methyl-1,3-bis(phenylmethoxy)propan-2-amine is CNC(COCc1ccccc1)COCc1ccccc1.
What is the InChIKey of N-methyl-1,3-bis(phenylmethoxy)propan-2-amine?
The InChIKey is ZBBIBPKXPWNSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-19-18(14-20-12-16-8-4-2-5-9-16)15-21-13-17-10-6-3-7-11-17/h2-11,18-19H,12-15H2,1H3.
What are the key properties of N-methyl-1,3-bis(phenylmethoxy)propan-2-amine?
N-methyl-1,3-bis(phenylmethoxy)propan-2-amine has a molecular weight of 285.39 g/mol, XLogP of 3.01, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,3-bis(phenylmethoxy)propan-2-amine is sourced from PubChem (CID 20583824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).