N-methyl-4-phenyl-N-(2-phenylethyl)butan-2-amine;hydrochloride

C19H26ClN — CID 158803245

IUPACN-methyl-4-phenyl-N-(2-phenylethyl)butan-2-amine;hydrochloride
SMILESCC(CCc1ccccc1)N(C)CCc1ccccc1.Cl
InChIInChI=1S/C19H25N.ClH/c1-17(13-14-18-9-5-3-6-10-18)20(2)16-15-19-11-7-4-8-12-19;/h3-12,17H,13-16H2,1-2H3;1H
InChIKeyWVXSOGVZGQOAGB-UHFFFAOYSA-N
MW303.88 g/mol
LogP4.60
Rot. Bonds7

About N-methyl-4-phenyl-N-(2-phenylethyl)butan-2-amine;hydrochloride

N-methyl-4-phenyl-N-(2-phenylethyl)butan-2-amine;hydrochloride (PubChem CID 158803245) has the molecular formula C19H26ClN and a molecular weight of 303.88 g/mol. Its IUPAC name is N-methyl-4-phenyl-N-(2-phenylethyl)butan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-4-phenyl-N-(2-phenylethyl)butan-2-amine;hydrochloride
PubChem CID158803245
Molecular FormulaC19H26ClN
Molecular Weight303.88 g/mol
Exact Mass303.18
IUPAC NameN-methyl-4-phenyl-N-(2-phenylethyl)butan-2-amine;hydrochloride
SMILESCC(CCc1ccccc1)N(C)CCc1ccccc1.Cl
InChIInChI=1S/C19H25N.ClH/c1-17(13-14-18-9-5-3-6-10-18)20(2)16-15-19-11-7-4-8-12-19;/h3-12,17H,13-16H2,1-2H3;1H
InChIKeyWVXSOGVZGQOAGB-UHFFFAOYSA-N
XLogP4.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.88
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-4-phenyl-N-propylbutan-2-amine
CID 90881559
N',N'-diethyl-N-methyl-N-(4-phenylbutan-2-yl)ethane-1,2-diamine
CID 2846550
N-methyl-1-phenyl-N-(3-phenylpropyl)propan-2-amine;hydrochloride
CID 158918700
N-methyl-4-phenyl-N-(2-piperazin-1-ylethyl)butan-2-amine
CID 63267619
N,N-diethyl-4-phenylbutan-2-amine
CID 567866
3-[methyl(2-phenylethyl)amino]butan-2-ol
CID 65485936
1-N-methyl-1-N-(2-phenylethyl)butane-1,3-diamine
CID 65488739
4-[2-[4-(4-hydroxyphenyl)butan-2-yl-methylamino]ethyl]benzene-1,2-diol
CID 143733640
2-[methyl(2-phenylethyl)amino]propanamide
CID 47280413
2-N-methyl-1-phenyl-2-N-(2-phenylethyl)butane-1,2-diamine
CID 65487407
N-methyl-4-phenyl-N-(piperidin-4-ylmethyl)butan-2-amine
CID 79707519
N,N,4-trimethyl-1-phenylhexan-3-amine
CID 54141645

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-phenyl-N-(2-phenylethyl)butan-2-amine;hydrochloride?
The IUPAC name of N-methyl-4-phenyl-N-(2-phenylethyl)butan-2-amine;hydrochloride (CID 158803245) is N-methyl-4-phenyl-N-(2-phenylethyl)butan-2-amine;hydrochloride.
What is the SMILES notation for N-methyl-4-phenyl-N-(2-phenylethyl)butan-2-amine;hydrochloride?
The canonical SMILES for N-methyl-4-phenyl-N-(2-phenylethyl)butan-2-amine;hydrochloride is CC(CCc1ccccc1)N(C)CCc1ccccc1.Cl.
What is the InChIKey of N-methyl-4-phenyl-N-(2-phenylethyl)butan-2-amine;hydrochloride?
The InChIKey is WVXSOGVZGQOAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N.ClH/c1-17(13-14-18-9-5-3-6-10-18)20(2)16-15-19-11-7-4-8-12-19;/h3-12,17H,13-16H2,1-2H3;1H.
What are the key properties of N-methyl-4-phenyl-N-(2-phenylethyl)butan-2-amine;hydrochloride?
N-methyl-4-phenyl-N-(2-phenylethyl)butan-2-amine;hydrochloride has a molecular weight of 303.88 g/mol, XLogP of 4.60, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-phenyl-N-(2-phenylethyl)butan-2-amine;hydrochloride is sourced from PubChem (CID 158803245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).