N-(2-benzhydryloxyethyl)-1-(3-methylphenoxy)propan-2-amine

C25H29NO2 — CID 3046451

IUPACN-(2-benzhydryloxyethyl)-1-(3-methylphenoxy)propan-2-amine
SMILESCc1cccc(OCC(C)NCCOC(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C25H29NO2/c1-20-10-9-15-24(18-20)28-19-21(2)26-16-17-27-25(22-11-5-3-6-12-22)23-13-7-4-8-14-23/h3-15,18,21,25-26H,16-17,19H2,1-2H3
InChIKeyRAAQXVJBKWRGRI-UHFFFAOYSA-N
MW375.51 g/mol
LogP5.16
Rot. Bonds10

About N-(2-benzhydryloxyethyl)-1-(3-methylphenoxy)propan-2-amine

N-(2-benzhydryloxyethyl)-1-(3-methylphenoxy)propan-2-amine (PubChem CID 3046451) has the molecular formula C25H29NO2 and a molecular weight of 375.51 g/mol. Its IUPAC name is N-(2-benzhydryloxyethyl)-1-(3-methylphenoxy)propan-2-amine.

Molecular Properties

Compound NameN-(2-benzhydryloxyethyl)-1-(3-methylphenoxy)propan-2-amine
PubChem CID3046451
Molecular FormulaC25H29NO2
Molecular Weight375.51 g/mol
Exact Mass375.22
IUPAC NameN-(2-benzhydryloxyethyl)-1-(3-methylphenoxy)propan-2-amine
SMILESCc1cccc(OCC(C)NCCOC(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C25H29NO2/c1-20-10-9-15-24(18-20)28-19-21(2)26-16-17-27-25(22-11-5-3-6-12-22)23-13-7-4-8-14-23/h3-15,18,21,25-26H,16-17,19H2,1-2H3
InChIKeyRAAQXVJBKWRGRI-UHFFFAOYSA-N
XLogP5.16
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.51
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-benzhydryloxyethyl)-1-(3,4-dichlorophenoxy)propan-2-amine
CID 24843977
N-[(1R)-1-(3-methylphenyl)ethyl]-3-phenoxypropan-1-amine
CID 81361126
1-(3,4-difluorophenyl)-N-[2-(3-methylphenoxy)ethyl]ethanamine
CID 60694256
3-amino-N-[1-(3-methylphenoxy)propan-2-yl]-3-phenylpropanamide
CID 119950399
1-(2,4-dimethylphenyl)-N-[2-(3-methylphenoxy)ethyl]ethanamine
CID 63455557
1-(4-fluorophenyl)-N-[2-(3-methylphenoxy)ethyl]propan-2-amine
CID 114829611
2-methyl-N-[2-(3-methylphenoxy)ethyl]pentan-3-amine
CID 55013093
2-methyl-3-[2-(3-methylphenoxy)ethylamino]butanoic acid
CID 79392076
1-methyl-3-(2,4,4-trimethylpentoxy)benzene
CID 163995199
[3-(3-methylphenoxy)-1-phenylpropyl]hydrazine
CID 105283017
3-[2-(1-phenylethylamino)ethoxy]aniline
CID 112509070
1-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]ethanamine
CID 60696154

Frequently Asked Questions

What is the IUPAC name of N-(2-benzhydryloxyethyl)-1-(3-methylphenoxy)propan-2-amine?
The IUPAC name of N-(2-benzhydryloxyethyl)-1-(3-methylphenoxy)propan-2-amine (CID 3046451) is N-(2-benzhydryloxyethyl)-1-(3-methylphenoxy)propan-2-amine.
What is the SMILES notation for N-(2-benzhydryloxyethyl)-1-(3-methylphenoxy)propan-2-amine?
The canonical SMILES for N-(2-benzhydryloxyethyl)-1-(3-methylphenoxy)propan-2-amine is Cc1cccc(OCC(C)NCCOC(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of N-(2-benzhydryloxyethyl)-1-(3-methylphenoxy)propan-2-amine?
The InChIKey is RAAQXVJBKWRGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO2/c1-20-10-9-15-24(18-20)28-19-21(2)26-16-17-27-25(22-11-5-3-6-12-22)23-13-7-4-8-14-23/h3-15,18,21,25-26H,16-17,19H2,1-2H3.
What are the key properties of N-(2-benzhydryloxyethyl)-1-(3-methylphenoxy)propan-2-amine?
N-(2-benzhydryloxyethyl)-1-(3-methylphenoxy)propan-2-amine has a molecular weight of 375.51 g/mol, XLogP of 5.16, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzhydryloxyethyl)-1-(3-methylphenoxy)propan-2-amine is sourced from PubChem (CID 3046451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).