1-(3-amino-5-methylphenyl)-N,N-diethylpyrrolidin-3-amine

C15H25N3 — CID 112647755

IUPAC1-(3-amino-5-methylphenyl)-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(c2cc(C)cc(N)c2)C1
InChIInChI=1S/C15H25N3/c1-4-17(5-2)14-6-7-18(11-14)15-9-12(3)8-13(16)10-15/h8-10,14H,4-7,11,16H2,1-3H3
InChIKeyUJTMMYLNATWIPH-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.50
Rot. Bonds4

About 1-(3-amino-5-methylphenyl)-N,N-diethylpyrrolidin-3-amine

1-(3-amino-5-methylphenyl)-N,N-diethylpyrrolidin-3-amine (PubChem CID 112647755) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 1-(3-amino-5-methylphenyl)-N,N-diethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(3-amino-5-methylphenyl)-N,N-diethylpyrrolidin-3-amine
PubChem CID112647755
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name1-(3-amino-5-methylphenyl)-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(c2cc(C)cc(N)c2)C1
InChIInChI=1S/C15H25N3/c1-4-17(5-2)14-6-7-18(11-14)15-9-12(3)8-13(16)10-15/h8-10,14H,4-7,11,16H2,1-3H3
InChIKeyUJTMMYLNATWIPH-UHFFFAOYSA-N
XLogP2.50
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(3-aminophenyl)-N,N-diethylpyrrolidin-3-amine
CID 63168616
3-methyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline
CID 112647756
3-(3-ethyl-4-methylpiperazin-1-yl)-5-methylaniline
CID 112647790
1-[1-(3,5-dimethylphenyl)pyrrolidin-3-yl]ethanamine
CID 83981845
1-[1-(3,5-dimethylphenyl)pyrrolidin-3-yl]butan-1-amine
CID 83981847
2-amino-4-[3-(diethylamino)pyrrolidin-1-yl]benzoic acid
CID 104500618
1-(4-aminophenyl)-N,N-diethylpiperidin-4-amine
CID 19804348
3-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]aniline
CID 112647964
1-(2-chloro-4-pyridinyl)-N,N-diethylpyrrolidin-3-amine
CID 103757127
6-[3-(diethylamino)pyrrolidin-1-yl]pyridin-3-amine
CID 55158197
5-amino-3-chloro-2-[3-(diethylamino)pyrrolidin-1-yl]benzamide
CID 107195794
2-[3-(diethylamino)pyrrolidin-1-yl]-1,3-benzoxazol-6-amine
CID 79893232

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-5-methylphenyl)-N,N-diethylpyrrolidin-3-amine?
The IUPAC name of 1-(3-amino-5-methylphenyl)-N,N-diethylpyrrolidin-3-amine (CID 112647755) is 1-(3-amino-5-methylphenyl)-N,N-diethylpyrrolidin-3-amine.
What is the SMILES notation for 1-(3-amino-5-methylphenyl)-N,N-diethylpyrrolidin-3-amine?
The canonical SMILES for 1-(3-amino-5-methylphenyl)-N,N-diethylpyrrolidin-3-amine is CCN(CC)C1CCN(c2cc(C)cc(N)c2)C1.
What is the InChIKey of 1-(3-amino-5-methylphenyl)-N,N-diethylpyrrolidin-3-amine?
The InChIKey is UJTMMYLNATWIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-4-17(5-2)14-6-7-18(11-14)15-9-12(3)8-13(16)10-15/h8-10,14H,4-7,11,16H2,1-3H3.
What are the key properties of 1-(3-amino-5-methylphenyl)-N,N-diethylpyrrolidin-3-amine?
1-(3-amino-5-methylphenyl)-N,N-diethylpyrrolidin-3-amine has a molecular weight of 247.39 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-5-methylphenyl)-N,N-diethylpyrrolidin-3-amine is sourced from PubChem (CID 112647755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).