N-[(5,5-dimethyloxolan-2-yl)methyl]-2-methyl-4-phenylbutan-2-amine

C18H29NO — CID 116521687

IUPACN-[(5,5-dimethyloxolan-2-yl)methyl]-2-methyl-4-phenylbutan-2-amine
SMILESCC(C)(CCc1ccccc1)NCC1CCC(C)(C)O1
InChIInChI=1S/C18H29NO/c1-17(2,12-10-15-8-6-5-7-9-15)19-14-16-11-13-18(3,4)20-16/h5-9,16,19H,10-14H2,1-4H3
InChIKeyBJWNKUVGRGQBIC-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.94
Rot. Bonds6

About N-[(5,5-dimethyloxolan-2-yl)methyl]-2-methyl-4-phenylbutan-2-amine

N-[(5,5-dimethyloxolan-2-yl)methyl]-2-methyl-4-phenylbutan-2-amine (PubChem CID 116521687) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[(5,5-dimethyloxolan-2-yl)methyl]-2-methyl-4-phenylbutan-2-amine.

Molecular Properties

Compound NameN-[(5,5-dimethyloxolan-2-yl)methyl]-2-methyl-4-phenylbutan-2-amine
PubChem CID116521687
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-[(5,5-dimethyloxolan-2-yl)methyl]-2-methyl-4-phenylbutan-2-amine
SMILESCC(C)(CCc1ccccc1)NCC1CCC(C)(C)O1
InChIInChI=1S/C18H29NO/c1-17(2,12-10-15-8-6-5-7-9-15)19-14-16-11-13-18(3,4)20-16/h5-9,16,19H,10-14H2,1-4H3
InChIKeyBJWNKUVGRGQBIC-UHFFFAOYSA-N
XLogP3.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5,5-dimethyloxolan-2-yl)methyl]-2-phenylethanamine
CID 116521126
N-[(5,5-dimethyloxolan-2-yl)methyl]-2-methylpropan-2-amine
CID 116521163
1-(5,5-dimethyloxolan-2-yl)-N-phenylmethoxymethanamine
CID 116521506
2-[(5,5-dimethyloxolan-2-yl)methylamino]-3-phenylpropan-1-ol
CID 116521447
2-[(5,5-dimethyloxolan-2-yl)methylamino]-2-methylpropane-1,3-diol
CID 116521611
2-[(5,5-dimethyloxolan-2-yl)methylamino]-2-phenylacetic acid
CID 116522706
N-[(5,5-dimethyloxolan-2-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 116521558
5-[3-chloro-2-(chloromethyl)-2-phenylpropyl]-2,2-dimethyloxolane
CID 116525315
2-chloro-N-[(5,5-dimethyloxolan-2-yl)methyl]-6-(trifluoromethyl)aniline
CID 116521173
N-(cyclopropylmethyl)-2-[(2-methyl-4-phenylbutan-2-yl)amino]acetamide
CID 115673265
N-[(5,5-dimethyloxolan-2-yl)methyl]-2-ethoxyaniline
CID 116521071
1-(5,5-dimethyloxolan-2-yl)-N-[(3-fluorophenyl)methyl]methanamine
CID 116521177

Frequently Asked Questions

What is the IUPAC name of N-[(5,5-dimethyloxolan-2-yl)methyl]-2-methyl-4-phenylbutan-2-amine?
The IUPAC name of N-[(5,5-dimethyloxolan-2-yl)methyl]-2-methyl-4-phenylbutan-2-amine (CID 116521687) is N-[(5,5-dimethyloxolan-2-yl)methyl]-2-methyl-4-phenylbutan-2-amine.
What is the SMILES notation for N-[(5,5-dimethyloxolan-2-yl)methyl]-2-methyl-4-phenylbutan-2-amine?
The canonical SMILES for N-[(5,5-dimethyloxolan-2-yl)methyl]-2-methyl-4-phenylbutan-2-amine is CC(C)(CCc1ccccc1)NCC1CCC(C)(C)O1.
What is the InChIKey of N-[(5,5-dimethyloxolan-2-yl)methyl]-2-methyl-4-phenylbutan-2-amine?
The InChIKey is BJWNKUVGRGQBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-17(2,12-10-15-8-6-5-7-9-15)19-14-16-11-13-18(3,4)20-16/h5-9,16,19H,10-14H2,1-4H3.
What are the key properties of N-[(5,5-dimethyloxolan-2-yl)methyl]-2-methyl-4-phenylbutan-2-amine?
N-[(5,5-dimethyloxolan-2-yl)methyl]-2-methyl-4-phenylbutan-2-amine has a molecular weight of 275.44 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,5-dimethyloxolan-2-yl)methyl]-2-methyl-4-phenylbutan-2-amine is sourced from PubChem (CID 116521687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).