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

C15H25N3 — CID 102550610

IUPAC1-[[4-(diethylamino)phenyl]methyl]pyrrolidin-3-amine
SMILESCCN(CC)c1ccc(CN2CCC(N)C2)cc1
InChIInChI=1S/C15H25N3/c1-3-18(4-2)15-7-5-13(6-8-15)11-17-10-9-14(16)12-17/h5-8,14H,3-4,9-12,16H2,1-2H3
InChIKeyWANKUXZSYXHQJQ-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.07
Rot. Bonds5

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

1-[[4-(diethylamino)phenyl]methyl]pyrrolidin-3-amine (PubChem CID 102550610) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 1-[[4-(diethylamino)phenyl]methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[[4-(diethylamino)phenyl]methyl]pyrrolidin-3-amine
PubChem CID102550610
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name1-[[4-(diethylamino)phenyl]methyl]pyrrolidin-3-amine
SMILESCCN(CC)c1ccc(CN2CCC(N)C2)cc1
InChIInChI=1S/C15H25N3/c1-3-18(4-2)15-7-5-13(6-8-15)11-17-10-9-14(16)12-17/h5-8,14H,3-4,9-12,16H2,1-2H3
InChIKeyWANKUXZSYXHQJQ-UHFFFAOYSA-N
XLogP2.07
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.07
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

(3R)-1-[[4-(dimethylamino)phenyl]methyl]pyrrolidin-3-amine
CID 94339766
(3R)-1-[(4-ethylphenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119905330
4-[[3-(aminomethyl)piperidin-1-yl]methyl]-N,N-diethylaniline
CID 54793813
(3S)-1-[(4-ethoxyphenyl)methyl]pyrrolidin-3-amine
CID 94339773
(3R)-1-[(4-ethoxyphenyl)methyl]pyrrolidin-3-amine
CID 68965269
(3R)-1-[(4-bromophenyl)methyl]pyrrolidin-3-amine
CID 53256327
1-[(4-bromophenyl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 75994008
1-[(4-fluorophenyl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 53422149
N,N-diethyl-4-[(4-ethylpiperazin-1-yl)methyl]aniline
CID 782564
1-[(4-phenylphenyl)methyl]pyrrolidin-3-amine
CID 62068870
(3S)-1-(pyridin-4-ylmethyl)pyrrolidin-3-amine
CID 39225703
1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-amine
CID 11382802

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(diethylamino)phenyl]methyl]pyrrolidin-3-amine?
The IUPAC name of 1-[[4-(diethylamino)phenyl]methyl]pyrrolidin-3-amine (CID 102550610) is 1-[[4-(diethylamino)phenyl]methyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-[[4-(diethylamino)phenyl]methyl]pyrrolidin-3-amine?
The canonical SMILES for 1-[[4-(diethylamino)phenyl]methyl]pyrrolidin-3-amine is CCN(CC)c1ccc(CN2CCC(N)C2)cc1.
What is the InChIKey of 1-[[4-(diethylamino)phenyl]methyl]pyrrolidin-3-amine?
The InChIKey is WANKUXZSYXHQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-3-18(4-2)15-7-5-13(6-8-15)11-17-10-9-14(16)12-17/h5-8,14H,3-4,9-12,16H2,1-2H3.
What are the key properties of 1-[[4-(diethylamino)phenyl]methyl]pyrrolidin-3-amine?
1-[[4-(diethylamino)phenyl]methyl]pyrrolidin-3-amine has a molecular weight of 247.39 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(diethylamino)phenyl]methyl]pyrrolidin-3-amine is sourced from PubChem (CID 102550610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).