N,N-dideuterio-2-methyl-1-phenyl-2-pyrrolidin-1-ylpropan-1-amine

C14H22N2 — CID 87582711

IUPACN,N-dideuterio-2-methyl-1-phenyl-2-pyrrolidin-1-ylpropan-1-amine
SMILES[2H]N([2H])C(c1ccccc1)C(C)(C)N1CCCC1
InChIInChI=1S/C14H22N2/c1-14(2,16-10-6-7-11-16)13(15)12-8-4-3-5-9-12/h3-5,8-9,13H,6-7,10-11,15H2,1-2H3/i/hD2
InChIKeyGEPUTQMHNJGKLT-ZSJDYOACSA-N
MW220.36 g/mol
LogP2.56
Rot. Bonds4

About N,N-dideuterio-2-methyl-1-phenyl-2-pyrrolidin-1-ylpropan-1-amine

N,N-dideuterio-2-methyl-1-phenyl-2-pyrrolidin-1-ylpropan-1-amine (PubChem CID 87582711) has the molecular formula C14H22N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N,N-dideuterio-2-methyl-1-phenyl-2-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN,N-dideuterio-2-methyl-1-phenyl-2-pyrrolidin-1-ylpropan-1-amine
PubChem CID87582711
Molecular FormulaC14H22N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN,N-dideuterio-2-methyl-1-phenyl-2-pyrrolidin-1-ylpropan-1-amine
SMILES[2H]N([2H])C(c1ccccc1)C(C)(C)N1CCCC1
InChIInChI=1S/C14H22N2/c1-14(2,16-10-6-7-11-16)13(15)12-8-4-3-5-9-12/h3-5,8-9,13H,6-7,10-11,15H2,1-2H3/i/hD2
InChIKeyGEPUTQMHNJGKLT-ZSJDYOACSA-N
XLogP2.56
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-morpholin-4-yl-1-phenylpropan-1-amine
CID 79051741
2-(azepan-1-yl)-1-(4-chlorophenyl)-2-methylpropan-1-amine
CID 79050777
2-(azepan-1-yl)-1-(3-fluorophenyl)-2-methylpropan-1-amine
CID 79051086
2-(azepan-1-yl)-1-(4-methoxyphenyl)-2-methylpropan-1-amine
CID 79050763
1-[(1S)-2,2-dimethyl-1-phenylpropyl]pyrrolidine
CID 59470641
2-(azepan-1-yl)-2-methyl-1-phenyl-N-propylpropan-1-amine
CID 79051839
2-(azepan-1-yl)-1-(3,4-dimethylphenyl)-2-methylpropan-1-amine
CID 79051219
1-(3,5-difluorophenyl)-2-methyl-2-piperidin-1-ylpropan-1-amine
CID 79045322
1,2-diphenyl-1-pyrrolidin-1-ylpropan-2-amine
CID 43829706
1-(2-bromo-6-chlorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine
CID 114269048
3-(azepan-1-yl)-3-methyl-1-phenylbutan-2-ol
CID 79052263
2-methyl-1-(1-methylpyrazol-4-yl)-2-pyrrolidin-1-ylpropan-1-amine
CID 79056047

Frequently Asked Questions

What is the IUPAC name of N,N-dideuterio-2-methyl-1-phenyl-2-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of N,N-dideuterio-2-methyl-1-phenyl-2-pyrrolidin-1-ylpropan-1-amine (CID 87582711) is N,N-dideuterio-2-methyl-1-phenyl-2-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for N,N-dideuterio-2-methyl-1-phenyl-2-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for N,N-dideuterio-2-methyl-1-phenyl-2-pyrrolidin-1-ylpropan-1-amine is [2H]N([2H])C(c1ccccc1)C(C)(C)N1CCCC1.
What is the InChIKey of N,N-dideuterio-2-methyl-1-phenyl-2-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is GEPUTQMHNJGKLT-ZSJDYOACSA-N. The full InChI is InChI=1S/C14H22N2/c1-14(2,16-10-6-7-11-16)13(15)12-8-4-3-5-9-12/h3-5,8-9,13H,6-7,10-11,15H2,1-2H3/i/hD2.
What are the key properties of N,N-dideuterio-2-methyl-1-phenyl-2-pyrrolidin-1-ylpropan-1-amine?
N,N-dideuterio-2-methyl-1-phenyl-2-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 220.36 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dideuterio-2-methyl-1-phenyl-2-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 87582711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).