3-(2-phenoxyphenyl)propan-1-amine;phosphane

C15H20NOP — CID 175469418

IUPAC3-(2-phenoxyphenyl)propan-1-amine;phosphane
SMILESNCCCc1ccccc1Oc1ccccc1.P
InChIInChI=1S/C15H17NO.H3P/c16-12-6-8-13-7-4-5-11-15(13)17-14-9-2-1-3-10-14;/h1-5,7,9-11H,6,8,12,16H2;1H3
InChIKeyBOZQZRVOKARQCY-UHFFFAOYSA-N
MW261.31 g/mol
LogP3.43
Rot. Bonds5

About 3-(2-phenoxyphenyl)propan-1-amine;phosphane

3-(2-phenoxyphenyl)propan-1-amine;phosphane (PubChem CID 175469418) has the molecular formula C15H20NOP and a molecular weight of 261.31 g/mol. Its IUPAC name is 3-(2-phenoxyphenyl)propan-1-amine;phosphane.

Molecular Properties

Compound Name3-(2-phenoxyphenyl)propan-1-amine;phosphane
PubChem CID175469418
Molecular FormulaC15H20NOP
Molecular Weight261.31 g/mol
Exact Mass261.13
IUPAC Name3-(2-phenoxyphenyl)propan-1-amine;phosphane
SMILESNCCCc1ccccc1Oc1ccccc1.P
InChIInChI=1S/C15H17NO.H3P/c16-12-6-8-13-7-4-5-11-15(13)17-14-9-2-1-3-10-14;/h1-5,7,9-11H,6,8,12,16H2;1H3
InChIKeyBOZQZRVOKARQCY-UHFFFAOYSA-N
XLogP3.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(3,4-difluorophenoxy)phenyl]propan-1-amine
CID 53434344
1-pentadecyl-2-phenoxybenzene
CID 101290758
2-(2-phenoxyphenyl)ethanethiol
CID 164663876
3-(5-nitro-2-phenoxyphenyl)propan-1-amine
CID 170867550
3-(3-methyl-2-phenoxyphenyl)propan-1-amine
CID 91527505
1-benzyl-2-phenoxybenzene;phosphane
CID 174871749
2-(2-phenoxyphenoxy)ethanamine
CID 18769450
methanidyl-[2-(2-phenoxyphenyl)ethyl]azanium
CID 91541094
1-(3,3-dimethylbutyl)-2-phenoxybenzene
CID 158619324
2-[2-(4-butylphenoxy)phenyl]ethanamine
CID 115493511
2-(2-pyridin-3-yloxyphenyl)ethanamine
CID 63816614
[2-[(2-phenoxyphenyl)methoxy]phenyl]methanamine
CID 150298277

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenoxyphenyl)propan-1-amine;phosphane?
The IUPAC name of 3-(2-phenoxyphenyl)propan-1-amine;phosphane (CID 175469418) is 3-(2-phenoxyphenyl)propan-1-amine;phosphane.
What is the SMILES notation for 3-(2-phenoxyphenyl)propan-1-amine;phosphane?
The canonical SMILES for 3-(2-phenoxyphenyl)propan-1-amine;phosphane is NCCCc1ccccc1Oc1ccccc1.P.
What is the InChIKey of 3-(2-phenoxyphenyl)propan-1-amine;phosphane?
The InChIKey is BOZQZRVOKARQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO.H3P/c16-12-6-8-13-7-4-5-11-15(13)17-14-9-2-1-3-10-14;/h1-5,7,9-11H,6,8,12,16H2;1H3.
What are the key properties of 3-(2-phenoxyphenyl)propan-1-amine;phosphane?
3-(2-phenoxyphenyl)propan-1-amine;phosphane has a molecular weight of 261.31 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenoxyphenyl)propan-1-amine;phosphane is sourced from PubChem (CID 175469418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).