1-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]propan-2-amine

C19H25NO — CID 63011929

IUPAC1-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]propan-2-amine
SMILESCC(Cc1ccccc1)NCc1cccc(OC(C)C)c1
InChIInChI=1S/C19H25NO/c1-15(2)21-19-11-7-10-18(13-19)14-20-16(3)12-17-8-5-4-6-9-17/h4-11,13,15-16,20H,12,14H2,1-3H3
InChIKeyWOXUVSYSBYYSDY-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.19
Rot. Bonds7

About 1-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]propan-2-amine

1-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]propan-2-amine (PubChem CID 63011929) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]propan-2-amine
PubChem CID63011929
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name1-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]propan-2-amine
SMILESCC(Cc1ccccc1)NCc1cccc(OC(C)C)c1
InChIInChI=1S/C19H25NO/c1-15(2)21-19-11-7-10-18(13-19)14-20-16(3)12-17-8-5-4-6-9-17/h4-11,13,15-16,20H,12,14H2,1-3H3
InChIKeyWOXUVSYSBYYSDY-UHFFFAOYSA-N
XLogP4.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-[(3-propan-2-yloxyphenyl)methyl]pentan-2-amine
CID 61210556
(2R)-N-[(3-propan-2-yloxyphenyl)methyl]butan-2-amine
CID 39245134
(2R)-2-[(3-propan-2-yloxyphenyl)methylamino]propan-1-ol
CID 114985581
1-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]methanamine
CID 39357787
methyl 2-[(3-propan-2-yloxyphenyl)methylamino]propanoate
CID 54959179
4-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]aniline
CID 54796749
(1S)-1-(2-chlorophenyl)-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 81375061
N-[(3-butan-2-yloxyphenyl)methyl]butan-2-amine
CID 54849222
N-benzylpropan-2-amine;propan-2-yloxybenzene
CID 169144448
(1R)-1-cyclopentyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 81394417
(1R)-1-(4-methylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 81347473
1-cyclohexyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 63476778

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]propan-2-amine?
The IUPAC name of 1-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]propan-2-amine (CID 63011929) is 1-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]propan-2-amine.
What is the SMILES notation for 1-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]propan-2-amine?
The canonical SMILES for 1-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]propan-2-amine is CC(Cc1ccccc1)NCc1cccc(OC(C)C)c1.
What is the InChIKey of 1-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]propan-2-amine?
The InChIKey is WOXUVSYSBYYSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-15(2)21-19-11-7-10-18(13-19)14-20-16(3)12-17-8-5-4-6-9-17/h4-11,13,15-16,20H,12,14H2,1-3H3.
What are the key properties of 1-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]propan-2-amine?
1-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]propan-2-amine has a molecular weight of 283.42 g/mol, XLogP of 4.19, 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-propan-2-yloxyphenyl)methyl]propan-2-amine is sourced from PubChem (CID 63011929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).