1-benzyl-N-(4-bromonaphthalen-1-yl)pyrrolidin-3-amine

C21H21BrN2 — CID 113384475

IUPAC1-benzyl-N-(4-bromonaphthalen-1-yl)pyrrolidin-3-amine
SMILESBrc1ccc(NC2CCN(Cc3ccccc3)C2)c2ccccc12
InChIInChI=1S/C21H21BrN2/c22-20-10-11-21(19-9-5-4-8-18(19)20)23-17-12-13-24(15-17)14-16-6-2-1-3-7-16/h1-11,17,23H,12-15H2
InChIKeyQUQHIKPORWXWBS-UHFFFAOYSA-N
MW381.32 g/mol
LogP5.29
Rot. Bonds4

About 1-benzyl-N-(4-bromonaphthalen-1-yl)pyrrolidin-3-amine

1-benzyl-N-(4-bromonaphthalen-1-yl)pyrrolidin-3-amine (PubChem CID 113384475) has the molecular formula C21H21BrN2 and a molecular weight of 381.32 g/mol. Its IUPAC name is 1-benzyl-N-(4-bromonaphthalen-1-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-benzyl-N-(4-bromonaphthalen-1-yl)pyrrolidin-3-amine
PubChem CID113384475
Molecular FormulaC21H21BrN2
Molecular Weight381.32 g/mol
Exact Mass380.09
IUPAC Name1-benzyl-N-(4-bromonaphthalen-1-yl)pyrrolidin-3-amine
SMILESBrc1ccc(NC2CCN(Cc3ccccc3)C2)c2ccccc12
InChIInChI=1S/C21H21BrN2/c22-20-10-11-21(19-9-5-4-8-18(19)20)23-17-12-13-24(15-17)14-16-6-2-1-3-7-16/h1-11,17,23H,12-15H2
InChIKeyQUQHIKPORWXWBS-UHFFFAOYSA-N
XLogP5.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.32
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(1-benzylpyrrolidin-3-yl)-2-bromobenzene-1,4-diamine
CID 130558138
1-benzyl-N-(2,6-dichlorophenyl)pyrrolidin-3-amine
CID 65469717
1-benzyl-N-(2-chloro-4-fluorophenyl)pyrrolidin-3-amine
CID 43150727
1-benzyl-N-(3-bromo-4-fluorophenyl)pyrrolidin-3-amine
CID 104776249
1-benzyl-N-(3,5-dimethylphenyl)pyrrolidin-3-amine
CID 43150672
N-(1-benzylpiperidin-3-yl)-3-bromopyridin-4-amine
CID 104777098
6-[(1-benzylpyrrolidin-3-yl)amino]-2-(3-chlorophenyl)benzo[de]isoquinoline-1,3-dione
CID 11548873
(3R)-1-benzyl-N-(trifluoromethyl)pyrrolidin-3-amine
CID 71648802
N-(1-benzylpyrrolidin-3-yl)-2-bromobenzenesulfonamide
CID 5147376
3-[(1-benzylpyrrolidin-3-yl)amino]pyridine-2-carbonitrile
CID 130167064
(3S)-1-benzyl-N-(3-fluorophenyl)pyrrolidin-3-amine
CID 29080908
5-N-(1-benzylpiperidin-4-yl)isoquinoline-5,8-diamine
CID 113223215

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(4-bromonaphthalen-1-yl)pyrrolidin-3-amine?
The IUPAC name of 1-benzyl-N-(4-bromonaphthalen-1-yl)pyrrolidin-3-amine (CID 113384475) is 1-benzyl-N-(4-bromonaphthalen-1-yl)pyrrolidin-3-amine.
What is the SMILES notation for 1-benzyl-N-(4-bromonaphthalen-1-yl)pyrrolidin-3-amine?
The canonical SMILES for 1-benzyl-N-(4-bromonaphthalen-1-yl)pyrrolidin-3-amine is Brc1ccc(NC2CCN(Cc3ccccc3)C2)c2ccccc12.
What is the InChIKey of 1-benzyl-N-(4-bromonaphthalen-1-yl)pyrrolidin-3-amine?
The InChIKey is QUQHIKPORWXWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrN2/c22-20-10-11-21(19-9-5-4-8-18(19)20)23-17-12-13-24(15-17)14-16-6-2-1-3-7-16/h1-11,17,23H,12-15H2.
What are the key properties of 1-benzyl-N-(4-bromonaphthalen-1-yl)pyrrolidin-3-amine?
1-benzyl-N-(4-bromonaphthalen-1-yl)pyrrolidin-3-amine has a molecular weight of 381.32 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(4-bromonaphthalen-1-yl)pyrrolidin-3-amine is sourced from PubChem (CID 113384475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).