2-methyl-2-(4-pyrrolidin-3-ylphenyl)propan-1-amine

C14H22N2 — CID 84786353

IUPAC2-methyl-2-(4-pyrrolidin-3-ylphenyl)propan-1-amine
SMILESCC(C)(CN)c1ccc(C2CCNC2)cc1
InChIInChI=1S/C14H22N2/c1-14(2,10-15)13-5-3-11(4-6-13)12-7-8-16-9-12/h3-6,12,16H,7-10,15H2,1-2H3
InChIKeyVTQDDICXIZYOFI-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.00
Rot. Bonds3

About 2-methyl-2-(4-pyrrolidin-3-ylphenyl)propan-1-amine

2-methyl-2-(4-pyrrolidin-3-ylphenyl)propan-1-amine (PubChem CID 84786353) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-methyl-2-(4-pyrrolidin-3-ylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-2-(4-pyrrolidin-3-ylphenyl)propan-1-amine
PubChem CID84786353
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name2-methyl-2-(4-pyrrolidin-3-ylphenyl)propan-1-amine
SMILESCC(C)(CN)c1ccc(C2CCNC2)cc1
InChIInChI=1S/C14H22N2/c1-14(2,10-15)13-5-3-11(4-6-13)12-7-8-16-9-12/h3-6,12,16H,7-10,15H2,1-2H3
InChIKeyVTQDDICXIZYOFI-UHFFFAOYSA-N
XLogP2.00
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(2,4,4-trimethylpentan-2-yl)phenyl]pyrrolidine
CID 117403115
3-methyl-3-(4-piperidin-4-ylphenyl)butan-1-amine
CID 116988059
(3S)-3-[4-(trifluoromethyl)phenyl]pyrrolidine
CID 71742225
3-(4-tert-butylphenyl)piperidine
CID 24904200
4-[4-(2,4,4-trimethylpentan-2-yl)phenyl]piperidine
CID 117436802
(3S)-3-[4-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride
CID 71742224
3-[4-[cyclopropyl(difluoro)methyl]phenyl]pyrrolidine
CID 116992340
2-methyl-4-(4-pyrrolidin-3-ylphenyl)butan-2-ol
CID 117116636
4-[(4-pyrrolidin-3-ylphenyl)methyl]piperidine
CID 116988438
2-amino-1-(4-pyrrolidin-3-ylphenyl)ethanol
CID 116988484
2-[4-(1-amino-2-methylpropan-2-yl)phenyl]-2-methylpropan-1-amine;hydrochloride
CID 74889721
ethane;3-phenylpyrrolidine
CID 91032726

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(4-pyrrolidin-3-ylphenyl)propan-1-amine?
The IUPAC name of 2-methyl-2-(4-pyrrolidin-3-ylphenyl)propan-1-amine (CID 84786353) is 2-methyl-2-(4-pyrrolidin-3-ylphenyl)propan-1-amine.
What is the SMILES notation for 2-methyl-2-(4-pyrrolidin-3-ylphenyl)propan-1-amine?
The canonical SMILES for 2-methyl-2-(4-pyrrolidin-3-ylphenyl)propan-1-amine is CC(C)(CN)c1ccc(C2CCNC2)cc1.
What is the InChIKey of 2-methyl-2-(4-pyrrolidin-3-ylphenyl)propan-1-amine?
The InChIKey is VTQDDICXIZYOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-14(2,10-15)13-5-3-11(4-6-13)12-7-8-16-9-12/h3-6,12,16H,7-10,15H2,1-2H3.
What are the key properties of 2-methyl-2-(4-pyrrolidin-3-ylphenyl)propan-1-amine?
2-methyl-2-(4-pyrrolidin-3-ylphenyl)propan-1-amine has a molecular weight of 218.34 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4-pyrrolidin-3-ylphenyl)propan-1-amine is sourced from PubChem (CID 84786353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).