3-methyl-1-phenyl-N-propyl-3-pyrrolidin-1-ylbutan-2-amine

C18H30N2 — CID 79045291

IUPAC3-methyl-1-phenyl-N-propyl-3-pyrrolidin-1-ylbutan-2-amine
SMILESCCCNC(Cc1ccccc1)C(C)(C)N1CCCC1
InChIInChI=1S/C18H30N2/c1-4-12-19-17(15-16-10-6-5-7-11-16)18(2,3)20-13-8-9-14-20/h5-7,10-11,17,19H,4,8-9,12-15H2,1-3H3
InChIKeyANHRYIVJNKUSIG-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.47
Rot. Bonds7

About 3-methyl-1-phenyl-N-propyl-3-pyrrolidin-1-ylbutan-2-amine

3-methyl-1-phenyl-N-propyl-3-pyrrolidin-1-ylbutan-2-amine (PubChem CID 79045291) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 3-methyl-1-phenyl-N-propyl-3-pyrrolidin-1-ylbutan-2-amine.

Molecular Properties

Compound Name3-methyl-1-phenyl-N-propyl-3-pyrrolidin-1-ylbutan-2-amine
PubChem CID79045291
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name3-methyl-1-phenyl-N-propyl-3-pyrrolidin-1-ylbutan-2-amine
SMILESCCCNC(Cc1ccccc1)C(C)(C)N1CCCC1
InChIInChI=1S/C18H30N2/c1-4-12-19-17(15-16-10-6-5-7-11-16)18(2,3)20-13-8-9-14-20/h5-7,10-11,17,19H,4,8-9,12-15H2,1-3H3
InChIKeyANHRYIVJNKUSIG-UHFFFAOYSA-N
XLogP3.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-(4-methylphenyl)-N-propyl-3-pyrrolidin-1-ylbutan-2-amine
CID 79051407
3-methyl-N-propyl-1-pyridin-3-yl-3-pyrrolidin-1-ylbutan-2-amine
CID 104736483
1-(5-ethylthiophen-2-yl)-3-methyl-N-propyl-3-pyrrolidin-1-ylbutan-2-amine
CID 79051436
2-(azepan-1-yl)-2-methyl-1-phenyl-N-propylpropan-1-amine
CID 79051839
3-(azepan-1-yl)-3-methyl-1-phenylbutan-2-ol
CID 79052263
1-(4-chlorophenyl)-N-ethyl-3-methyl-3-piperidin-1-ylbutan-2-amine
CID 79052033
N-ethyl-1-(4-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-amine
CID 79052048
N-ethyl-3-methyl-1-pyridin-3-yl-3-pyrrolidin-1-ylbutan-2-amine
CID 104736482
1-(4-bromothiophen-2-yl)-3-methyl-3-piperidin-1-yl-N-propylbutan-2-amine
CID 79052191
4-methyl-4-piperidin-1-yl-N-propyl-1-thiophen-2-ylpentan-3-amine
CID 79052192
3-(azepan-1-yl)-1-cyclopropyl-3-methyl-N-propylbutan-2-amine
CID 79051842
1-(2,6-dichlorophenyl)-N-ethyl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine
CID 79051283

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-phenyl-N-propyl-3-pyrrolidin-1-ylbutan-2-amine?
The IUPAC name of 3-methyl-1-phenyl-N-propyl-3-pyrrolidin-1-ylbutan-2-amine (CID 79045291) is 3-methyl-1-phenyl-N-propyl-3-pyrrolidin-1-ylbutan-2-amine.
What is the SMILES notation for 3-methyl-1-phenyl-N-propyl-3-pyrrolidin-1-ylbutan-2-amine?
The canonical SMILES for 3-methyl-1-phenyl-N-propyl-3-pyrrolidin-1-ylbutan-2-amine is CCCNC(Cc1ccccc1)C(C)(C)N1CCCC1.
What is the InChIKey of 3-methyl-1-phenyl-N-propyl-3-pyrrolidin-1-ylbutan-2-amine?
The InChIKey is ANHRYIVJNKUSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-4-12-19-17(15-16-10-6-5-7-11-16)18(2,3)20-13-8-9-14-20/h5-7,10-11,17,19H,4,8-9,12-15H2,1-3H3.
What are the key properties of 3-methyl-1-phenyl-N-propyl-3-pyrrolidin-1-ylbutan-2-amine?
3-methyl-1-phenyl-N-propyl-3-pyrrolidin-1-ylbutan-2-amine has a molecular weight of 274.45 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-phenyl-N-propyl-3-pyrrolidin-1-ylbutan-2-amine is sourced from PubChem (CID 79045291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).