N-(2-phenoxy-2-phenylethyl)propan-1-amine

C17H21NO — CID 62452576

IUPACN-(2-phenoxy-2-phenylethyl)propan-1-amine
SMILESCCCNCC(Oc1ccccc1)c1ccccc1
InChIInChI=1S/C17H21NO/c1-2-13-18-14-17(15-9-5-3-6-10-15)19-16-11-7-4-8-12-16/h3-12,17-18H,2,13-14H2,1H3
InChIKeyZMSBFGXNINBUKJ-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.81
Rot. Bonds7

About N-(2-phenoxy-2-phenylethyl)propan-1-amine

N-(2-phenoxy-2-phenylethyl)propan-1-amine (PubChem CID 62452576) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is N-(2-phenoxy-2-phenylethyl)propan-1-amine.

Molecular Properties

Compound NameN-(2-phenoxy-2-phenylethyl)propan-1-amine
PubChem CID62452576
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC NameN-(2-phenoxy-2-phenylethyl)propan-1-amine
SMILESCCCNCC(Oc1ccccc1)c1ccccc1
InChIInChI=1S/C17H21NO/c1-2-13-18-14-17(15-9-5-3-6-10-15)19-16-11-7-4-8-12-16/h3-12,17-18H,2,13-14H2,1H3
InChIKeyZMSBFGXNINBUKJ-UHFFFAOYSA-N
XLogP3.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,4-dichlorophenoxy)-2-phenylethyl]propan-1-amine
CID 63498262
N-(2-phenyl-2-propan-2-yloxyethyl)propan-1-amine
CID 62108020
N-[2-(2-methylsulfanylphenoxy)-2-phenylethyl]propan-1-amine
CID 63647905
N-[2-(2-fluoro-3-methylphenoxy)-2-phenylethyl]propan-1-amine
CID 107661150
3-methyl-2-phenoxy-N-propylbutan-1-amine
CID 62454475
N-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-phenylethyl]propan-1-amine
CID 81341788
N-[2-[2-(3-methoxypropoxy)ethoxy]-2-phenylethyl]propan-1-amine
CID 103180489
2-methyl-N-[2-(4-methylphenoxy)-2-phenylethyl]propan-1-amine
CID 63491990
N-[2-(4-fluorophenoxy)-2-phenylethyl]-2-methylpropan-1-amine
CID 62454308
3-methoxy-2-phenyl-N-propylpropan-1-amine
CID 103984694
N-[2-(3-methoxyphenyl)-2-pentoxyethyl]propan-1-amine
CID 62109389
2-methyl-6-phenoxy-N-propylhexan-1-amine
CID 64664128

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxy-2-phenylethyl)propan-1-amine?
The IUPAC name of N-(2-phenoxy-2-phenylethyl)propan-1-amine (CID 62452576) is N-(2-phenoxy-2-phenylethyl)propan-1-amine.
What is the SMILES notation for N-(2-phenoxy-2-phenylethyl)propan-1-amine?
The canonical SMILES for N-(2-phenoxy-2-phenylethyl)propan-1-amine is CCCNCC(Oc1ccccc1)c1ccccc1.
What is the InChIKey of N-(2-phenoxy-2-phenylethyl)propan-1-amine?
The InChIKey is ZMSBFGXNINBUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-2-13-18-14-17(15-9-5-3-6-10-15)19-16-11-7-4-8-12-16/h3-12,17-18H,2,13-14H2,1H3.
What are the key properties of N-(2-phenoxy-2-phenylethyl)propan-1-amine?
N-(2-phenoxy-2-phenylethyl)propan-1-amine has a molecular weight of 255.36 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxy-2-phenylethyl)propan-1-amine is sourced from PubChem (CID 62452576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).