1-[4-[(1R)-1-aminoethyl]phenyl]-N,N,4-trimethylpyrrolidin-3-amine

C15H25N3 — CID 81463769

IUPAC1-[4-[(1R)-1-aminoethyl]phenyl]-N,N,4-trimethylpyrrolidin-3-amine
SMILESCC1CN(c2ccc([C@@H](C)N)cc2)CC1N(C)C
InChIInChI=1S/C15H25N3/c1-11-9-18(10-15(11)17(3)4)14-7-5-13(6-8-14)12(2)16/h5-8,11-12,15H,9-10,16H2,1-4H3/t11?,12-,15?/m1/s1
InChIKeyYONFZRJEBUDYCH-MQYJIDSJSA-N
MW247.39 g/mol
LogP2.09
Rot. Bonds3

About 1-[4-[(1R)-1-aminoethyl]phenyl]-N,N,4-trimethylpyrrolidin-3-amine

1-[4-[(1R)-1-aminoethyl]phenyl]-N,N,4-trimethylpyrrolidin-3-amine (PubChem CID 81463769) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 1-[4-[(1R)-1-aminoethyl]phenyl]-N,N,4-trimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[4-[(1R)-1-aminoethyl]phenyl]-N,N,4-trimethylpyrrolidin-3-amine
PubChem CID81463769
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name1-[4-[(1R)-1-aminoethyl]phenyl]-N,N,4-trimethylpyrrolidin-3-amine
SMILESCC1CN(c2ccc([C@@H](C)N)cc2)CC1N(C)C
InChIInChI=1S/C15H25N3/c1-11-9-18(10-15(11)17(3)4)14-7-5-13(6-8-14)12(2)16/h5-8,11-12,15H,9-10,16H2,1-4H3/t11?,12-,15?/m1/s1
InChIKeyYONFZRJEBUDYCH-MQYJIDSJSA-N
XLogP2.09
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[4-[(1S)-1-aminoethyl]phenyl]-N,N-dimethylpiperidin-4-amine
CID 55189063
4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]benzenecarboximidamide
CID 81465244
1-[2-(1-aminoethyl)-4-fluorophenyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81464769
1-(4-amino-3-methoxyphenyl)-N,N,4-trimethylpyrrolidin-3-amine
CID 81465021
1-[4-(azepan-1-yl)phenyl]ethanamine
CID 43188750
2-bromo-4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]benzenecarbothioamide
CID 107277995
1-[2-amino-1-(4-fluorophenyl)propyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81464189
(1S)-1-[4-(4-tert-butylpiperidin-1-yl)phenyl]ethanamine
CID 63368975
1-[4-(4-phenylpiperazin-1-yl)phenyl]ethanamine
CID 43188772
1-[4-(1-aminoethyl)phenyl]piperidin-3-ol
CID 61434763
1-[2-(2-aminopropyl)-4-fluorophenyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81469750
2-chloro-4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]benzenecarboximidamide
CID 81465237

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1R)-1-aminoethyl]phenyl]-N,N,4-trimethylpyrrolidin-3-amine?
The IUPAC name of 1-[4-[(1R)-1-aminoethyl]phenyl]-N,N,4-trimethylpyrrolidin-3-amine (CID 81463769) is 1-[4-[(1R)-1-aminoethyl]phenyl]-N,N,4-trimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[4-[(1R)-1-aminoethyl]phenyl]-N,N,4-trimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[4-[(1R)-1-aminoethyl]phenyl]-N,N,4-trimethylpyrrolidin-3-amine is CC1CN(c2ccc([C@@H](C)N)cc2)CC1N(C)C.
What is the InChIKey of 1-[4-[(1R)-1-aminoethyl]phenyl]-N,N,4-trimethylpyrrolidin-3-amine?
The InChIKey is YONFZRJEBUDYCH-MQYJIDSJSA-N. The full InChI is InChI=1S/C15H25N3/c1-11-9-18(10-15(11)17(3)4)14-7-5-13(6-8-14)12(2)16/h5-8,11-12,15H,9-10,16H2,1-4H3/t11?,12-,15?/m1/s1.
What are the key properties of 1-[4-[(1R)-1-aminoethyl]phenyl]-N,N,4-trimethylpyrrolidin-3-amine?
1-[4-[(1R)-1-aminoethyl]phenyl]-N,N,4-trimethylpyrrolidin-3-amine has a molecular weight of 247.39 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1R)-1-aminoethyl]phenyl]-N,N,4-trimethylpyrrolidin-3-amine is sourced from PubChem (CID 81463769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).