3-methyl-N-[(4-phenylphenyl)methyl]butan-1-amine;hydrochloride

C18H24ClN — CID 17206786

IUPAC3-methyl-N-[(4-phenylphenyl)methyl]butan-1-amine;hydrochloride
SMILESCC(C)CCNCc1ccc(-c2ccccc2)cc1.Cl
InChIInChI=1S/C18H23N.ClH/c1-15(2)12-13-19-14-16-8-10-18(11-9-16)17-6-4-3-5-7-17;/h3-11,15,19H,12-14H2,1-2H3;1H
InChIKeyMUMMOJXYXWMZAB-UHFFFAOYSA-N
MW289.85 g/mol
LogP4.91
Rot. Bonds6

About 3-methyl-N-[(4-phenylphenyl)methyl]butan-1-amine;hydrochloride

3-methyl-N-[(4-phenylphenyl)methyl]butan-1-amine;hydrochloride (PubChem CID 17206786) has the molecular formula C18H24ClN and a molecular weight of 289.85 g/mol. Its IUPAC name is 3-methyl-N-[(4-phenylphenyl)methyl]butan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-methyl-N-[(4-phenylphenyl)methyl]butan-1-amine;hydrochloride
PubChem CID17206786
Molecular FormulaC18H24ClN
Molecular Weight289.85 g/mol
Exact Mass289.16
IUPAC Name3-methyl-N-[(4-phenylphenyl)methyl]butan-1-amine;hydrochloride
SMILESCC(C)CCNCc1ccc(-c2ccccc2)cc1.Cl
InChIInChI=1S/C18H23N.ClH/c1-15(2)12-13-19-14-16-8-10-18(11-9-16)17-6-4-3-5-7-17;/h3-11,15,19H,12-14H2,1-2H3;1H
InChIKeyMUMMOJXYXWMZAB-UHFFFAOYSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.85
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis[(4-phenylphenyl)methyl]butane-1,4-diamine
CID 10273675
3-[4-[(3-methylbutylamino)methyl]phenyl]benzamide
CID 25213074
1-N-[(4-phenylphenyl)methyl]propane-1,2-diamine
CID 24936247
3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butan-1-amine
CID 61241369
ethane;3-methyl-N-(pyridin-4-ylmethyl)butan-1-amine
CID 156850242
2-ethylsulfonyl-N-[(4-phenylphenyl)methyl]ethanamine
CID 103643079
2-[4-[(3-methylbutylamino)methyl]phenoxy]ethanol
CID 17210721
N-[3-(2-methylpropylamino)propyl]-N'-[[4-[3-[4-[[3-[3-(2-methylpropylamino)propylamino]propylamino]methyl]phenyl]phenyl]phenyl]methyl]propane-1,3-diamine
CID 142450447
N-[(3-chlorophenyl)methyl]-3-methylbutan-1-amine;hydrochloride
CID 17206859
N-[2-[(4-phenylphenyl)methylamino]ethyl]acetamide
CID 28684450
N-[[5-[(2-ethoxyethylamino)methyl]-2-phenylphenyl]methyl]-3-methylbutan-1-amine
CID 142601143
N-(bromomethyl)-1-(4-phenylphenyl)methanamine
CID 115261872

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(4-phenylphenyl)methyl]butan-1-amine;hydrochloride?
The IUPAC name of 3-methyl-N-[(4-phenylphenyl)methyl]butan-1-amine;hydrochloride (CID 17206786) is 3-methyl-N-[(4-phenylphenyl)methyl]butan-1-amine;hydrochloride.
What is the SMILES notation for 3-methyl-N-[(4-phenylphenyl)methyl]butan-1-amine;hydrochloride?
The canonical SMILES for 3-methyl-N-[(4-phenylphenyl)methyl]butan-1-amine;hydrochloride is CC(C)CCNCc1ccc(-c2ccccc2)cc1.Cl.
What is the InChIKey of 3-methyl-N-[(4-phenylphenyl)methyl]butan-1-amine;hydrochloride?
The InChIKey is MUMMOJXYXWMZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N.ClH/c1-15(2)12-13-19-14-16-8-10-18(11-9-16)17-6-4-3-5-7-17;/h3-11,15,19H,12-14H2,1-2H3;1H.
What are the key properties of 3-methyl-N-[(4-phenylphenyl)methyl]butan-1-amine;hydrochloride?
3-methyl-N-[(4-phenylphenyl)methyl]butan-1-amine;hydrochloride has a molecular weight of 289.85 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(4-phenylphenyl)methyl]butan-1-amine;hydrochloride is sourced from PubChem (CID 17206786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).