N-[[1-(6-bromonaphthalen-2-yl)pyrrolidin-3-yl]methyl]propan-2-amine

C18H23BrN2 — CID 81266805

IUPACN-[[1-(6-bromonaphthalen-2-yl)pyrrolidin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCN(c2ccc3cc(Br)ccc3c2)C1
InChIInChI=1S/C18H23BrN2/c1-13(2)20-11-14-7-8-21(12-14)18-6-4-15-9-17(19)5-3-16(15)10-18/h3-6,9-10,13-14,20H,7-8,11-12H2,1-2H3
InChIKeyLKGZAQWOUJEFBN-UHFFFAOYSA-N
MW347.30 g/mol
LogP4.43
Rot. Bonds4

About N-[[1-(6-bromonaphthalen-2-yl)pyrrolidin-3-yl]methyl]propan-2-amine

N-[[1-(6-bromonaphthalen-2-yl)pyrrolidin-3-yl]methyl]propan-2-amine (PubChem CID 81266805) has the molecular formula C18H23BrN2 and a molecular weight of 347.30 g/mol. Its IUPAC name is N-[[1-(6-bromonaphthalen-2-yl)pyrrolidin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(6-bromonaphthalen-2-yl)pyrrolidin-3-yl]methyl]propan-2-amine
PubChem CID81266805
Molecular FormulaC18H23BrN2
Molecular Weight347.30 g/mol
Exact Mass346.10
IUPAC NameN-[[1-(6-bromonaphthalen-2-yl)pyrrolidin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCN(c2ccc3cc(Br)ccc3c2)C1
InChIInChI=1S/C18H23BrN2/c1-13(2)20-11-14-7-8-21(12-14)18-6-4-15-9-17(19)5-3-16(15)10-18/h3-6,9-10,13-14,20H,7-8,11-12H2,1-2H3
InChIKeyLKGZAQWOUJEFBN-UHFFFAOYSA-N
XLogP4.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(4-bromo-3-fluorophenyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 65436566
N-[[1-(3-fluoro-4-methoxyphenyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 55081581
N-methyl-1-(1-naphthalen-2-ylpyrrolidin-3-yl)methanamine
CID 62513770
N-[[1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 62513041
N-[[1-[3-(methoxymethyl)phenyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 62512611
N-[[1-(2-bromo-1H-pyrrol-3-yl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 141399761
N-[(1-naphthalen-2-ylpyrrolidin-3-yl)methyl]ethanamine
CID 62513771
1-(6-bromonaphthalen-2-yl)-3-(2-methylpropyl)piperazine
CID 81267331
N-[(1-naphthalen-2-ylpyrrolidin-3-yl)methyl]cyclopropanamine
CID 62513614
1-[1-(4-bromophenyl)pyrrolidin-3-yl]propan-2-amine
CID 83981718
N-[[1-(2,4,5-trichlorophenyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 62511727
N-[[1-(4-bromo-3-methylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62513701

Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-bromonaphthalen-2-yl)pyrrolidin-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(6-bromonaphthalen-2-yl)pyrrolidin-3-yl]methyl]propan-2-amine (CID 81266805) is N-[[1-(6-bromonaphthalen-2-yl)pyrrolidin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(6-bromonaphthalen-2-yl)pyrrolidin-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(6-bromonaphthalen-2-yl)pyrrolidin-3-yl]methyl]propan-2-amine is CC(C)NCC1CCN(c2ccc3cc(Br)ccc3c2)C1.
What is the InChIKey of N-[[1-(6-bromonaphthalen-2-yl)pyrrolidin-3-yl]methyl]propan-2-amine?
The InChIKey is LKGZAQWOUJEFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN2/c1-13(2)20-11-14-7-8-21(12-14)18-6-4-15-9-17(19)5-3-16(15)10-18/h3-6,9-10,13-14,20H,7-8,11-12H2,1-2H3.
What are the key properties of N-[[1-(6-bromonaphthalen-2-yl)pyrrolidin-3-yl]methyl]propan-2-amine?
N-[[1-(6-bromonaphthalen-2-yl)pyrrolidin-3-yl]methyl]propan-2-amine has a molecular weight of 347.30 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-bromonaphthalen-2-yl)pyrrolidin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 81266805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).