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

C19H21NO — CID 43078385

IUPAC2-phenyl-N-[(2-prop-2-ynoxyphenyl)methyl]propan-1-amine
SMILESC#CCOc1ccccc1CNCC(C)c1ccccc1
InChIInChI=1S/C19H21NO/c1-3-13-21-19-12-8-7-11-18(19)15-20-14-16(2)17-9-5-4-6-10-17/h1,4-12,16,20H,13-15H2,2H3
InChIKeyBMGWVWJOZVYODP-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.59
Rot. Bonds7

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

2-phenyl-N-[(2-prop-2-ynoxyphenyl)methyl]propan-1-amine (PubChem CID 43078385) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-phenyl-N-[(2-prop-2-ynoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-phenyl-N-[(2-prop-2-ynoxyphenyl)methyl]propan-1-amine
PubChem CID43078385
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name2-phenyl-N-[(2-prop-2-ynoxyphenyl)methyl]propan-1-amine
SMILESC#CCOc1ccccc1CNCC(C)c1ccccc1
InChIInChI=1S/C19H21NO/c1-3-13-21-19-12-8-7-11-18(19)15-20-14-16(2)17-9-5-4-6-10-17/h1,4-12,16,20H,13-15H2,2H3
InChIKeyBMGWVWJOZVYODP-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methylsulfanyl-N-[(2-prop-2-ynoxyphenyl)methyl]propan-1-amine
CID 113320318
2-methyl-3-[(2-prop-2-ynoxyphenyl)methylamino]propanenitrile
CID 62646548
2-ethyl-N-[(2-prop-2-ynoxyphenyl)methyl]butan-1-amine
CID 115616903
(1S)-1-phenyl-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine
CID 28609857
2-phenyl-N-[(2-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 43221119
N-[(2-prop-2-ynoxyphenyl)methyl]propan-2-amine
CID 28610201
1-phenyl-N-[(2-prop-2-ynoxyphenyl)methyl]propan-1-amine
CID 62048226
1-methylsulfanyl-N-[(2-prop-2-ynoxyphenyl)methyl]propan-2-amine
CID 113472717
3-methyl-N-[(2-prop-2-ynoxyphenyl)methyl]but-2-en-1-amine
CID 103527938
N-propan-2-yl-1-[2-[[(2-prop-2-ynoxyphenyl)methylamino]methyl]phenyl]methanesulfonamide
CID 119122185
(1S)-N-[(2-prop-2-ynoxyphenyl)methyl]-1-pyridin-3-ylethanamine
CID 28655941
1-[(2-prop-2-ynoxyphenyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 110910791

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[(2-prop-2-ynoxyphenyl)methyl]propan-1-amine?
The IUPAC name of 2-phenyl-N-[(2-prop-2-ynoxyphenyl)methyl]propan-1-amine (CID 43078385) is 2-phenyl-N-[(2-prop-2-ynoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for 2-phenyl-N-[(2-prop-2-ynoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for 2-phenyl-N-[(2-prop-2-ynoxyphenyl)methyl]propan-1-amine is C#CCOc1ccccc1CNCC(C)c1ccccc1.
What is the InChIKey of 2-phenyl-N-[(2-prop-2-ynoxyphenyl)methyl]propan-1-amine?
The InChIKey is BMGWVWJOZVYODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-3-13-21-19-12-8-7-11-18(19)15-20-14-16(2)17-9-5-4-6-10-17/h1,4-12,16,20H,13-15H2,2H3.
What are the key properties of 2-phenyl-N-[(2-prop-2-ynoxyphenyl)methyl]propan-1-amine?
2-phenyl-N-[(2-prop-2-ynoxyphenyl)methyl]propan-1-amine has a molecular weight of 279.38 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[(2-prop-2-ynoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 43078385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).