4-methyl-1,1-diphenylheptan-2-amine

C20H27N — CID 63412141

IUPAC4-methyl-1,1-diphenylheptan-2-amine
SMILESCCCC(C)CC(N)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H27N/c1-3-10-16(2)15-19(21)20(17-11-6-4-7-12-17)18-13-8-5-9-14-18/h4-9,11-14,16,19-20H,3,10,15,21H2,1-2H3
InChIKeyKVQIRMNIMQMHOJ-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.97
Rot. Bonds7

About 4-methyl-1,1-diphenylheptan-2-amine

4-methyl-1,1-diphenylheptan-2-amine (PubChem CID 63412141) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is 4-methyl-1,1-diphenylheptan-2-amine.

Molecular Properties

Compound Name4-methyl-1,1-diphenylheptan-2-amine
PubChem CID63412141
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC Name4-methyl-1,1-diphenylheptan-2-amine
SMILESCCCC(C)CC(N)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H27N/c1-3-10-16(2)15-19(21)20(17-11-6-4-7-12-17)18-13-8-5-9-14-18/h4-9,11-14,16,19-20H,3,10,15,21H2,1-2H3
InChIKeyKVQIRMNIMQMHOJ-UHFFFAOYSA-N
XLogP4.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-1,1-diphenylhexan-3-amine
CID 83047736
4-methylheptan-2-ylbenzene
CID 21055597
1,1-diphenylhexan-2-amine;hydrate
CID 173442178
1-(4-fluorophenyl)-1-phenylpentan-2-amine
CID 83047108
1,1-diphenylheptan-2-amine;hydrate
CID 173442268
2-methyl-6,6-diphenylhexane-1,5-diamine
CID 174986807
1,1-diphenylnonan-2-amine;hydrate
CID 173441575
1,1-diphenylnonadecan-2-amine;hydrate
CID 173441506
2-(2-methylpentoxy)-1-phenylethanamine
CID 103283488
6-methyl-2-phenylnonan-4-ol
CID 65150012
4-methyl-2-phenylheptanoic acid
CID 65430207
3-methyl-1-phenylundecan-1-amine
CID 174237329

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,1-diphenylheptan-2-amine?
The IUPAC name of 4-methyl-1,1-diphenylheptan-2-amine (CID 63412141) is 4-methyl-1,1-diphenylheptan-2-amine.
What is the SMILES notation for 4-methyl-1,1-diphenylheptan-2-amine?
The canonical SMILES for 4-methyl-1,1-diphenylheptan-2-amine is CCCC(C)CC(N)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-methyl-1,1-diphenylheptan-2-amine?
The InChIKey is KVQIRMNIMQMHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-3-10-16(2)15-19(21)20(17-11-6-4-7-12-17)18-13-8-5-9-14-18/h4-9,11-14,16,19-20H,3,10,15,21H2,1-2H3.
What are the key properties of 4-methyl-1,1-diphenylheptan-2-amine?
4-methyl-1,1-diphenylheptan-2-amine has a molecular weight of 281.44 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,1-diphenylheptan-2-amine is sourced from PubChem (CID 63412141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).