ethane;N-methyl-4,4-diphenylbutan-1-amine

C19H27N — CID 142989405

IUPACethane;N-methyl-4,4-diphenylbutan-1-amine
SMILESCC.CNCCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H21N.C2H6/c1-18-14-8-13-17(15-9-4-2-5-10-15)16-11-6-3-7-12-16;1-2/h2-7,9-12,17-18H,8,13-14H2,1H3;1-2H3
InChIKeyZRHKKEXDORQRRM-UHFFFAOYSA-N
MW269.43 g/mol
LogP4.84
Rot. Bonds6

About ethane;N-methyl-4,4-diphenylbutan-1-amine

ethane;N-methyl-4,4-diphenylbutan-1-amine (PubChem CID 142989405) has the molecular formula C19H27N and a molecular weight of 269.43 g/mol. Its IUPAC name is ethane;N-methyl-4,4-diphenylbutan-1-amine.

Molecular Properties

Compound Nameethane;N-methyl-4,4-diphenylbutan-1-amine
PubChem CID142989405
Molecular FormulaC19H27N
Molecular Weight269.43 g/mol
Exact Mass269.21
IUPAC Nameethane;N-methyl-4,4-diphenylbutan-1-amine
SMILESCC.CNCCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H21N.C2H6/c1-18-14-8-13-17(15-9-4-2-5-10-15)16-11-6-3-7-12-16;1-2/h2-7,9-12,17-18H,8,13-14H2,1H3;1-2H3
InChIKeyZRHKKEXDORQRRM-UHFFFAOYSA-N
XLogP4.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 54.84
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-methyl-3,3-diphenylpropan-1-amine;hydrochloride
CID 21467371
1-(3,3-diphenylpropyl)-2-methylhydrazine
CID 143031126
ethane;N-methyl-3-phenylpentan-1-amine
CID 165125181
(2S)-2-N-[(2S)-2-(4,4-diphenylbutylamino)-3-phenylpropyl]-1-N-methyl-3-phenylpropane-1,2-diamine
CID 15858785
N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 18544546
4-(4-methoxy-1H-indol-3-yl)-N-methyl-4-phenylbutan-1-amine
CID 58088594
4,4-diphenyl-N-(4-phenylbutan-2-yl)butan-1-amine
CID 10316304
N,N-dibutyl-4,4-diphenylbutan-1-amine
CID 3026479
2-chloro-N-(4,4-diphenylbutyl)acetamide
CID 69448505
(3S)-N-methyl-3-phenylpent-4-en-1-amine
CID 143676843
3,3-diphenyl-N-(1-phenylethyl)propan-1-amine
CID 69294873
N-(3,3-diphenylpropyl)-2-(methylamino)acetamide;hydrochloride
CID 119675915

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-4,4-diphenylbutan-1-amine?
The IUPAC name of ethane;N-methyl-4,4-diphenylbutan-1-amine (CID 142989405) is ethane;N-methyl-4,4-diphenylbutan-1-amine.
What is the SMILES notation for ethane;N-methyl-4,4-diphenylbutan-1-amine?
The canonical SMILES for ethane;N-methyl-4,4-diphenylbutan-1-amine is CC.CNCCCC(c1ccccc1)c1ccccc1.
What is the InChIKey of ethane;N-methyl-4,4-diphenylbutan-1-amine?
The InChIKey is ZRHKKEXDORQRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N.C2H6/c1-18-14-8-13-17(15-9-4-2-5-10-15)16-11-6-3-7-12-16;1-2/h2-7,9-12,17-18H,8,13-14H2,1H3;1-2H3.
What are the key properties of ethane;N-methyl-4,4-diphenylbutan-1-amine?
ethane;N-methyl-4,4-diphenylbutan-1-amine has a molecular weight of 269.43 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-4,4-diphenylbutan-1-amine is sourced from PubChem (CID 142989405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).