N-(2-benzhydryloxyethyl)-N-methyl-1-phenoxypropan-2-amine

C25H29NO2 — CID 3050418

IUPACN-(2-benzhydryloxyethyl)-N-methyl-1-phenoxypropan-2-amine
SMILESCC(COc1ccccc1)N(C)CCOC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H29NO2/c1-21(20-28-24-16-10-5-11-17-24)26(2)18-19-27-25(22-12-6-3-7-13-22)23-14-8-4-9-15-23/h3-17,21,25H,18-20H2,1-2H3
InChIKeyNHXOILLCRMVISV-UHFFFAOYSA-N
MW375.51 g/mol
LogP5.19
Rot. Bonds10

About N-(2-benzhydryloxyethyl)-N-methyl-1-phenoxypropan-2-amine

N-(2-benzhydryloxyethyl)-N-methyl-1-phenoxypropan-2-amine (PubChem CID 3050418) has the molecular formula C25H29NO2 and a molecular weight of 375.51 g/mol. Its IUPAC name is N-(2-benzhydryloxyethyl)-N-methyl-1-phenoxypropan-2-amine.

Molecular Properties

Compound NameN-(2-benzhydryloxyethyl)-N-methyl-1-phenoxypropan-2-amine
PubChem CID3050418
Molecular FormulaC25H29NO2
Molecular Weight375.51 g/mol
Exact Mass375.22
IUPAC NameN-(2-benzhydryloxyethyl)-N-methyl-1-phenoxypropan-2-amine
SMILESCC(COc1ccccc1)N(C)CCOC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H29NO2/c1-21(20-28-24-16-10-5-11-17-24)26(2)18-19-27-25(22-12-6-3-7-13-22)23-14-8-4-9-15-23/h3-17,21,25H,18-20H2,1-2H3
InChIKeyNHXOILLCRMVISV-UHFFFAOYSA-N
XLogP5.19
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.51
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(2-benzhydryloxyethyl)-N-methyl-1-phenoxypropan-2-amine
CID 76964662
2-[(4-methoxyphenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 10669
N-(2-methoxyethyl)-N-methyl-1-phenoxybutan-2-amine
CID 143240290
2-benzhydryloxy-N,N-dimethylethanamine;perchloric acid
CID 71349931
4-[(S)-2-(dimethylamino)ethoxy-phenylmethyl]phenol
CID 99923178
2-[(4-chlorophenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 29152
N-(2-benzhydryloxyethyl)-N-methylmethanesulfonamide
CID 75501883
2-[(4-fluorophenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 3028323
2-[(2,6-diethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 171986365
2-[(2,6-dimethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine
CID 56690077
[3-methylpentoxy(phenyl)methyl]benzene
CID 123899731
2-[(2,6-dimethylphenyl)-phenylmethoxy]-N,N-dimethylethanamine;hydrochloride
CID 117071490

Frequently Asked Questions

What is the IUPAC name of N-(2-benzhydryloxyethyl)-N-methyl-1-phenoxypropan-2-amine?
The IUPAC name of N-(2-benzhydryloxyethyl)-N-methyl-1-phenoxypropan-2-amine (CID 3050418) is N-(2-benzhydryloxyethyl)-N-methyl-1-phenoxypropan-2-amine.
What is the SMILES notation for N-(2-benzhydryloxyethyl)-N-methyl-1-phenoxypropan-2-amine?
The canonical SMILES for N-(2-benzhydryloxyethyl)-N-methyl-1-phenoxypropan-2-amine is CC(COc1ccccc1)N(C)CCOC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(2-benzhydryloxyethyl)-N-methyl-1-phenoxypropan-2-amine?
The InChIKey is NHXOILLCRMVISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO2/c1-21(20-28-24-16-10-5-11-17-24)26(2)18-19-27-25(22-12-6-3-7-13-22)23-14-8-4-9-15-23/h3-17,21,25H,18-20H2,1-2H3.
What are the key properties of N-(2-benzhydryloxyethyl)-N-methyl-1-phenoxypropan-2-amine?
N-(2-benzhydryloxyethyl)-N-methyl-1-phenoxypropan-2-amine has a molecular weight of 375.51 g/mol, XLogP of 5.19, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzhydryloxyethyl)-N-methyl-1-phenoxypropan-2-amine is sourced from PubChem (CID 3050418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).