1-phenyl-N-[(2-prop-2-ynoxyphenyl)methyl]propan-1-amine

C19H21NO — CID 62048226

IUPAC1-phenyl-N-[(2-prop-2-ynoxyphenyl)methyl]propan-1-amine
SMILESC#CCOc1ccccc1CNC(CC)c1ccccc1
InChIInChI=1S/C19H21NO/c1-3-14-21-19-13-9-8-12-17(19)15-20-18(4-2)16-10-6-5-7-11-16/h1,5-13,18,20H,4,14-15H2,2H3
InChIKeyVODMSQNUKOXGFD-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.94
Rot. Bonds7

About 1-phenyl-N-[(2-prop-2-ynoxyphenyl)methyl]propan-1-amine

1-phenyl-N-[(2-prop-2-ynoxyphenyl)methyl]propan-1-amine (PubChem CID 62048226) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-phenyl-N-[(2-prop-2-ynoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-phenyl-N-[(2-prop-2-ynoxyphenyl)methyl]propan-1-amine
PubChem CID62048226
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name1-phenyl-N-[(2-prop-2-ynoxyphenyl)methyl]propan-1-amine
SMILESC#CCOc1ccccc1CNC(CC)c1ccccc1
InChIInChI=1S/C19H21NO/c1-3-14-21-19-13-9-8-12-17(19)15-20-18(4-2)16-10-6-5-7-11-16/h1,5-13,18,20H,4,14-15H2,2H3
InChIKeyVODMSQNUKOXGFD-UHFFFAOYSA-N
XLogP3.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-phenyl-N-[(2-prop-2-ynoxyphenyl)methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-phenyl-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine
CID 28609857
N-[(2-prop-2-ynoxyphenyl)methyl]propan-2-amine
CID 28610201
N-[(2-butan-2-yloxyphenyl)methyl]-1-phenylpropan-1-amine
CID 54848917
2-phenyl-N-[(2-prop-2-ynoxyphenyl)methyl]propan-1-amine
CID 43078385
2-ethyl-N-[(2-prop-2-ynoxyphenyl)methyl]butan-1-amine
CID 115616903
1-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]propan-1-amine
CID 43234899
1-methylsulfanyl-N-[(2-prop-2-ynoxyphenyl)methyl]propan-2-amine
CID 113472717
(1S)-N-[(2-prop-2-ynoxyphenyl)methyl]-1-pyridin-3-ylethanamine
CID 28655941
2-[(1-phenylpropylamino)methyl]phenol
CID 62305715
N-[(2-prop-2-ynoxyphenyl)methyl]octan-2-amine
CID 43220796
1,1-dicyclopropyl-N-[(2-prop-2-ynoxyphenyl)methyl]methanamine
CID 28661521
N-propyl-2-[(2-prop-2-ynoxyphenyl)methylamino]propanamide
CID 43221810

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[(2-prop-2-ynoxyphenyl)methyl]propan-1-amine?
The IUPAC name of 1-phenyl-N-[(2-prop-2-ynoxyphenyl)methyl]propan-1-amine (CID 62048226) is 1-phenyl-N-[(2-prop-2-ynoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for 1-phenyl-N-[(2-prop-2-ynoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for 1-phenyl-N-[(2-prop-2-ynoxyphenyl)methyl]propan-1-amine is C#CCOc1ccccc1CNC(CC)c1ccccc1.
What is the InChIKey of 1-phenyl-N-[(2-prop-2-ynoxyphenyl)methyl]propan-1-amine?
The InChIKey is VODMSQNUKOXGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-3-14-21-19-13-9-8-12-17(19)15-20-18(4-2)16-10-6-5-7-11-16/h1,5-13,18,20H,4,14-15H2,2H3.
What are the key properties of 1-phenyl-N-[(2-prop-2-ynoxyphenyl)methyl]propan-1-amine?
1-phenyl-N-[(2-prop-2-ynoxyphenyl)methyl]propan-1-amine has a molecular weight of 279.38 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[(2-prop-2-ynoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 62048226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).