(3R)-1-[[4-(dimethylamino)phenyl]methyl]pyrrolidin-3-amine

C13H21N3 — CID 94339766

IUPAC(3R)-1-[[4-(dimethylamino)phenyl]methyl]pyrrolidin-3-amine
SMILESCN(C)c1ccc(CN2CC[C@@H](N)C2)cc1
InChIInChI=1S/C13H21N3/c1-15(2)13-5-3-11(4-6-13)9-16-8-7-12(14)10-16/h3-6,12H,7-10,14H2,1-2H3/t12-/m1/s1
InChIKeyIBZNDVIRLXAXIZ-GFCCVEGCSA-N
MW219.33 g/mol
LogP1.29
Rot. Bonds3

About (3R)-1-[[4-(dimethylamino)phenyl]methyl]pyrrolidin-3-amine

(3R)-1-[[4-(dimethylamino)phenyl]methyl]pyrrolidin-3-amine (PubChem CID 94339766) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is (3R)-1-[[4-(dimethylamino)phenyl]methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[[4-(dimethylamino)phenyl]methyl]pyrrolidin-3-amine
PubChem CID94339766
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name(3R)-1-[[4-(dimethylamino)phenyl]methyl]pyrrolidin-3-amine
SMILESCN(C)c1ccc(CN2CC[C@@H](N)C2)cc1
InChIInChI=1S/C13H21N3/c1-15(2)13-5-3-11(4-6-13)9-16-8-7-12(14)10-16/h3-6,12H,7-10,14H2,1-2H3/t12-/m1/s1
InChIKeyIBZNDVIRLXAXIZ-GFCCVEGCSA-N
XLogP1.29
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[[4-(diethylamino)phenyl]methyl]pyrrolidin-3-amine
CID 102550610
(3R)-1-[[4-(dimethylamino)phenyl]methyl]pyrrolidin-3-ol
CID 103881907
(3R)-1-[(4-ethylphenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119905330
(3R)-1-[(4-bromophenyl)methyl]pyrrolidin-3-amine
CID 53256327
4-[[3-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-N,N-dimethylaniline
CID 114959973
4-[[(3R)-3-ethylpiperidin-1-yl]methyl]-N,N-dimethylaniline
CID 145119279
1-[(4-bromophenyl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 75994008
1-[(4-fluorophenyl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 53422149
(3S)-1-[(4-ethoxyphenyl)methyl]pyrrolidin-3-amine
CID 94339773
(3R)-1-[(4-ethoxyphenyl)methyl]pyrrolidin-3-amine
CID 68965269
1-[(4-phenylphenyl)methyl]pyrrolidin-3-amine
CID 62068870
(3S)-1-(pyridin-4-ylmethyl)pyrrolidin-3-amine
CID 39225703

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[[4-(dimethylamino)phenyl]methyl]pyrrolidin-3-amine?
The IUPAC name of (3R)-1-[[4-(dimethylamino)phenyl]methyl]pyrrolidin-3-amine (CID 94339766) is (3R)-1-[[4-(dimethylamino)phenyl]methyl]pyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-[[4-(dimethylamino)phenyl]methyl]pyrrolidin-3-amine?
The canonical SMILES for (3R)-1-[[4-(dimethylamino)phenyl]methyl]pyrrolidin-3-amine is CN(C)c1ccc(CN2CC[C@@H](N)C2)cc1.
What is the InChIKey of (3R)-1-[[4-(dimethylamino)phenyl]methyl]pyrrolidin-3-amine?
The InChIKey is IBZNDVIRLXAXIZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H21N3/c1-15(2)13-5-3-11(4-6-13)9-16-8-7-12(14)10-16/h3-6,12H,7-10,14H2,1-2H3/t12-/m1/s1.
What are the key properties of (3R)-1-[[4-(dimethylamino)phenyl]methyl]pyrrolidin-3-amine?
(3R)-1-[[4-(dimethylamino)phenyl]methyl]pyrrolidin-3-amine has a molecular weight of 219.33 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[[4-(dimethylamino)phenyl]methyl]pyrrolidin-3-amine is sourced from PubChem (CID 94339766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).