1-benzyl-3-(2,4-dimethylphenyl)pyrrolidin-3-amine

C19H24N2 — CID 130137268

IUPAC1-benzyl-3-(2,4-dimethylphenyl)pyrrolidin-3-amine
SMILESCc1ccc(C2(N)CCN(Cc3ccccc3)C2)c(C)c1
InChIInChI=1S/C19H24N2/c1-15-8-9-18(16(2)12-15)19(20)10-11-21(14-19)13-17-6-4-3-5-7-17/h3-9,12H,10-11,13-14,20H2,1-2H3
InChIKeyHKJXNKXYLZWYNR-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.36
Rot. Bonds3

About 1-benzyl-3-(2,4-dimethylphenyl)pyrrolidin-3-amine

1-benzyl-3-(2,4-dimethylphenyl)pyrrolidin-3-amine (PubChem CID 130137268) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 1-benzyl-3-(2,4-dimethylphenyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-benzyl-3-(2,4-dimethylphenyl)pyrrolidin-3-amine
PubChem CID130137268
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Name1-benzyl-3-(2,4-dimethylphenyl)pyrrolidin-3-amine
SMILESCc1ccc(C2(N)CCN(Cc3ccccc3)C2)c(C)c1
InChIInChI=1S/C19H24N2/c1-15-8-9-18(16(2)12-15)19(20)10-11-21(14-19)13-17-6-4-3-5-7-17/h3-9,12H,10-11,13-14,20H2,1-2H3
InChIKeyHKJXNKXYLZWYNR-UHFFFAOYSA-N
XLogP3.36
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3S)-3-amino-1-benzylpyrrolidin-3-yl]methanol
CID 93087782
1-benzyl-3-(2-fluorophenyl)piperidin-3-amine
CID 130137252
1'-benzyl-5-methylspiro[indene-2,4'-piperidine]
CID 175775241
1-benzyl-4-(2,5-difluorophenyl)piperidin-4-amine
CID 164862876
[(3S)-3-amino-1-benzylpiperidin-3-yl]methanol
CID 51892328
1-benzyl-3-(trifluoromethyl)pyrrolidin-3-amine
CID 53403180
4-[(3R)-1-benzyl-3-methylpyrrolidin-3-yl]aniline
CID 124566342
1-benzyl-4-(4-bromophenyl)piperidin-4-amine
CID 72698436
1-benzyl-3-(4-chlorophenyl)piperidin-3-amine
CID 130137250
[4-amino-1-[(4-methylphenyl)methyl]piperidin-4-yl]methanol
CID 117012093
2-benzyl-7-methyl-2,7-diazaspiro[4.4]nonane
CID 2868838
(3S)-1-benzyl-3-methylpiperidine-3-thiol
CID 97176105

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2,4-dimethylphenyl)pyrrolidin-3-amine?
The IUPAC name of 1-benzyl-3-(2,4-dimethylphenyl)pyrrolidin-3-amine (CID 130137268) is 1-benzyl-3-(2,4-dimethylphenyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-benzyl-3-(2,4-dimethylphenyl)pyrrolidin-3-amine?
The canonical SMILES for 1-benzyl-3-(2,4-dimethylphenyl)pyrrolidin-3-amine is Cc1ccc(C2(N)CCN(Cc3ccccc3)C2)c(C)c1.
What is the InChIKey of 1-benzyl-3-(2,4-dimethylphenyl)pyrrolidin-3-amine?
The InChIKey is HKJXNKXYLZWYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c1-15-8-9-18(16(2)12-15)19(20)10-11-21(14-19)13-17-6-4-3-5-7-17/h3-9,12H,10-11,13-14,20H2,1-2H3.
What are the key properties of 1-benzyl-3-(2,4-dimethylphenyl)pyrrolidin-3-amine?
1-benzyl-3-(2,4-dimethylphenyl)pyrrolidin-3-amine has a molecular weight of 280.42 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2,4-dimethylphenyl)pyrrolidin-3-amine is sourced from PubChem (CID 130137268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).