1-phenyl-N-(3-phenylpropoxy)methanamine

C16H19NO — CID 154375568

IUPAC1-phenyl-N-(3-phenylpropoxy)methanamine
SMILESc1ccc(CCCONCc2ccccc2)cc1
InChIInChI=1S/C16H19NO/c1-3-8-15(9-4-1)12-7-13-18-17-14-16-10-5-2-6-11-16/h1-6,8-11,17H,7,12-14H2
InChIKeyXVTJMINXFAVNOY-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.34
Rot. Bonds7

About 1-phenyl-N-(3-phenylpropoxy)methanamine

1-phenyl-N-(3-phenylpropoxy)methanamine (PubChem CID 154375568) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-phenyl-N-(3-phenylpropoxy)methanamine.

Molecular Properties

Compound Name1-phenyl-N-(3-phenylpropoxy)methanamine
PubChem CID154375568
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name1-phenyl-N-(3-phenylpropoxy)methanamine
SMILESc1ccc(CCCONCc2ccccc2)cc1
InChIInChI=1S/C16H19NO/c1-3-8-15(9-4-1)12-7-13-18-17-14-16-10-5-2-6-11-16/h1-6,8-11,17H,7,12-14H2
InChIKeyXVTJMINXFAVNOY-UHFFFAOYSA-N
XLogP3.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(chloroamino)oxypropylbenzene
CID 140980785
2-(benzylamino)oxyethanamine
CID 46183846
2-(benzylamino)oxyethanamine;dihydrochloride
CID 46183845
N-pentoxy-2-phenylethanamine
CID 57075178
3-decoxypropylbenzene
CID 150065328
8-(8-phenyloctoxy)octylbenzene
CID 56628536
benzylethoxysilane
CID 66773279
4-phenylbutylbenzene
CID 141301927
N-(methoxymethoxy)-1-phenylmethanamine
CID 54396406
2-[2-[2-[2-(3-phenylpropoxy)ethoxy]ethoxy]ethoxy]ethanamine
CID 138496429
hafnium;4-phenylbutylbenzene
CID 175889972
1,4-bis(3-phenylpropyl)benzene
CID 59467322

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(3-phenylpropoxy)methanamine?
The IUPAC name of 1-phenyl-N-(3-phenylpropoxy)methanamine (CID 154375568) is 1-phenyl-N-(3-phenylpropoxy)methanamine.
What is the SMILES notation for 1-phenyl-N-(3-phenylpropoxy)methanamine?
The canonical SMILES for 1-phenyl-N-(3-phenylpropoxy)methanamine is c1ccc(CCCONCc2ccccc2)cc1.
What is the InChIKey of 1-phenyl-N-(3-phenylpropoxy)methanamine?
The InChIKey is XVTJMINXFAVNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-3-8-15(9-4-1)12-7-13-18-17-14-16-10-5-2-6-11-16/h1-6,8-11,17H,7,12-14H2.
What are the key properties of 1-phenyl-N-(3-phenylpropoxy)methanamine?
1-phenyl-N-(3-phenylpropoxy)methanamine has a molecular weight of 241.33 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(3-phenylpropoxy)methanamine is sourced from PubChem (CID 154375568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).