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

C20H28N2 — CID 82542355

IUPAC4-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-3-methylbutan-1-amine
SMILESCC(CCN)Cc1ccc(-c2ccccc2CN(C)C)cc1
InChIInChI=1S/C20H28N2/c1-16(12-13-21)14-17-8-10-18(11-9-17)20-7-5-4-6-19(20)15-22(2)3/h4-11,16H,12-15,21H2,1-3H3
InChIKeyRHFZFOFQKITIJC-UHFFFAOYSA-N
MW296.46 g/mol
LogP3.94
Rot. Bonds7

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

4-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-3-methylbutan-1-amine (PubChem CID 82542355) has the molecular formula C20H28N2 and a molecular weight of 296.46 g/mol. Its IUPAC name is 4-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name4-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-3-methylbutan-1-amine
PubChem CID82542355
Molecular FormulaC20H28N2
Molecular Weight296.46 g/mol
Exact Mass296.23
IUPAC Name4-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-3-methylbutan-1-amine
SMILESCC(CCN)Cc1ccc(-c2ccccc2CN(C)C)cc1
InChIInChI=1S/C20H28N2/c1-16(12-13-21)14-17-8-10-18(11-9-17)20-7-5-4-6-19(20)15-22(2)3/h4-11,16H,12-15,21H2,1-3H3
InChIKeyRHFZFOFQKITIJC-UHFFFAOYSA-N
XLogP3.94
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-3-methylbutan-1-amine?
The IUPAC name of 4-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-3-methylbutan-1-amine (CID 82542355) is 4-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-3-methylbutan-1-amine.
What is the SMILES notation for 4-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-3-methylbutan-1-amine?
The canonical SMILES for 4-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-3-methylbutan-1-amine is CC(CCN)Cc1ccc(-c2ccccc2CN(C)C)cc1.
What is the InChIKey of 4-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-3-methylbutan-1-amine?
The InChIKey is RHFZFOFQKITIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2/c1-16(12-13-21)14-17-8-10-18(11-9-17)20-7-5-4-6-19(20)15-22(2)3/h4-11,16H,12-15,21H2,1-3H3.
What are the key properties of 4-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-3-methylbutan-1-amine?
4-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-3-methylbutan-1-amine has a molecular weight of 296.46 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 4-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-3-methylbutan-1-amine is sourced from PubChem (CID 82542355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).