N-(3,3-diphenylpropyl)-2-methoxy-N,2-dimethylpropan-1-amine;propane

C24H37NO — CID 164917813

IUPACN-(3,3-diphenylpropyl)-2-methoxy-N,2-dimethylpropan-1-amine;propane
SMILESCCC.COC(C)(C)CN(C)CCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H29NO.C3H8/c1-21(2,23-4)17-22(3)16-15-20(18-11-7-5-8-12-18)19-13-9-6-10-14-19;1-3-2/h5-14,20H,15-17H2,1-4H3;3H2,1-2H3
InChIKeyBXURXOYEAFMLFG-UHFFFAOYSA-N
MW355.57 g/mol
LogP5.98
Rot. Bonds8

About N-(3,3-diphenylpropyl)-2-methoxy-N,2-dimethylpropan-1-amine;propane

N-(3,3-diphenylpropyl)-2-methoxy-N,2-dimethylpropan-1-amine;propane (PubChem CID 164917813) has the molecular formula C24H37NO and a molecular weight of 355.57 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-2-methoxy-N,2-dimethylpropan-1-amine;propane.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-2-methoxy-N,2-dimethylpropan-1-amine;propane
PubChem CID164917813
Molecular FormulaC24H37NO
Molecular Weight355.57 g/mol
Exact Mass355.29
IUPAC NameN-(3,3-diphenylpropyl)-2-methoxy-N,2-dimethylpropan-1-amine;propane
SMILESCCC.COC(C)(C)CN(C)CCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H29NO.C3H8/c1-21(2,23-4)17-22(3)16-15-20(18-11-7-5-8-12-18)19-13-9-6-10-14-19;1-3-2/h5-14,20H,15-17H2,1-4H3;3H2,1-2H3
InChIKeyBXURXOYEAFMLFG-UHFFFAOYSA-N
XLogP5.98
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.57
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[3,3-diphenylpropyl(methyl)amino]-2-methylpropan-2-yl] methanesulfonate
CID 16662826
[1-[3,3-diphenylpropyl(methyl)amino]-2-methylpropan-2-yl] propane-1-sulfonate
CID 16662828
[1-[3,3-diphenylpropyl(methyl)amino]-2-methylpropan-2-yl] (Z)-3-aminobut-2-enoate
CID 11494652
2,2-dimethyl-3-[methyl(3-methylbutyl)amino]-1-phenylpropan-1-ol
CID 63194059
4-methoxy-4-methyl-1-phenylpentan-1-ol
CID 103028375
(2S)-N-(3,3-diphenylpropyl)-N,3-dimethylbutan-2-amine
CID 54447002
1-[methyl(3-methylbutyl)amino]-2-phenylpropan-2-ol
CID 55068898
2-(3,3-diphenylpropoxy)-N,N-dimethylethanamine
CID 154143220
5-O-[1-[3,3-diphenylpropyl(methyl)amino]-2-methylpropan-2-yl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate;hydrate;hydrochloride
CID 85042892
5-O-[1-[3,3-diphenylpropyl(methyl)amino]-2-methylpropan-2-yl] 3-O-methyl (4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate;oxalic acid
CID 69131803
2-[3-[3,3-diphenylpropyl(methyl)amino]propylsulfanyl]phenol
CID 70561741
N'-(1-methoxypropan-2-yl)-N',2,2-trimethyl-1-phenylpropane-1,3-diamine
CID 55163332

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-2-methoxy-N,2-dimethylpropan-1-amine;propane?
The IUPAC name of N-(3,3-diphenylpropyl)-2-methoxy-N,2-dimethylpropan-1-amine;propane (CID 164917813) is N-(3,3-diphenylpropyl)-2-methoxy-N,2-dimethylpropan-1-amine;propane.
What is the SMILES notation for N-(3,3-diphenylpropyl)-2-methoxy-N,2-dimethylpropan-1-amine;propane?
The canonical SMILES for N-(3,3-diphenylpropyl)-2-methoxy-N,2-dimethylpropan-1-amine;propane is CCC.COC(C)(C)CN(C)CCC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(3,3-diphenylpropyl)-2-methoxy-N,2-dimethylpropan-1-amine;propane?
The InChIKey is BXURXOYEAFMLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO.C3H8/c1-21(2,23-4)17-22(3)16-15-20(18-11-7-5-8-12-18)19-13-9-6-10-14-19;1-3-2/h5-14,20H,15-17H2,1-4H3;3H2,1-2H3.
What are the key properties of N-(3,3-diphenylpropyl)-2-methoxy-N,2-dimethylpropan-1-amine;propane?
N-(3,3-diphenylpropyl)-2-methoxy-N,2-dimethylpropan-1-amine;propane has a molecular weight of 355.57 g/mol, XLogP of 5.98, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-2-methoxy-N,2-dimethylpropan-1-amine;propane is sourced from PubChem (CID 164917813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).