1-[4-[3-[(dimethylamino)methyl]phenyl]phenyl]-N-methylpropan-2-amine

C19H26N2 — CID 82540027

IUPAC1-[4-[3-[(dimethylamino)methyl]phenyl]phenyl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1ccc(-c2cccc(CN(C)C)c2)cc1
InChIInChI=1S/C19H26N2/c1-15(20-2)12-16-8-10-18(11-9-16)19-7-5-6-17(13-19)14-21(3)4/h5-11,13,15,20H,12,14H2,1-4H3
InChIKeyABCZIXJUKOHDHY-UHFFFAOYSA-N
MW282.43 g/mol
LogP3.57
Rot. Bonds6

About 1-[4-[3-[(dimethylamino)methyl]phenyl]phenyl]-N-methylpropan-2-amine

1-[4-[3-[(dimethylamino)methyl]phenyl]phenyl]-N-methylpropan-2-amine (PubChem CID 82540027) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-[4-[3-[(dimethylamino)methyl]phenyl]phenyl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-[4-[3-[(dimethylamino)methyl]phenyl]phenyl]-N-methylpropan-2-amine
PubChem CID82540027
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name1-[4-[3-[(dimethylamino)methyl]phenyl]phenyl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1ccc(-c2cccc(CN(C)C)c2)cc1
InChIInChI=1S/C19H26N2/c1-15(20-2)12-16-8-10-18(11-9-16)19-7-5-6-17(13-19)14-21(3)4/h5-11,13,15,20H,12,14H2,1-4H3
InChIKeyABCZIXJUKOHDHY-UHFFFAOYSA-N
XLogP3.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[(dimethylamino)methyl]phenyl]phenyl]-N-methylpropan-2-amine?
The IUPAC name of 1-[4-[3-[(dimethylamino)methyl]phenyl]phenyl]-N-methylpropan-2-amine (CID 82540027) is 1-[4-[3-[(dimethylamino)methyl]phenyl]phenyl]-N-methylpropan-2-amine.
What is the SMILES notation for 1-[4-[3-[(dimethylamino)methyl]phenyl]phenyl]-N-methylpropan-2-amine?
The canonical SMILES for 1-[4-[3-[(dimethylamino)methyl]phenyl]phenyl]-N-methylpropan-2-amine is CNC(C)Cc1ccc(-c2cccc(CN(C)C)c2)cc1.
What is the InChIKey of 1-[4-[3-[(dimethylamino)methyl]phenyl]phenyl]-N-methylpropan-2-amine?
The InChIKey is ABCZIXJUKOHDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-15(20-2)12-16-8-10-18(11-9-16)19-7-5-6-17(13-19)14-21(3)4/h5-11,13,15,20H,12,14H2,1-4H3.
What are the key properties of 1-[4-[3-[(dimethylamino)methyl]phenyl]phenyl]-N-methylpropan-2-amine?
1-[4-[3-[(dimethylamino)methyl]phenyl]phenyl]-N-methylpropan-2-amine has a molecular weight of 282.43 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[(dimethylamino)methyl]phenyl]phenyl]-N-methylpropan-2-amine is sourced from PubChem (CID 82540027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).