6-bromo-N-[(1-methylpiperidin-3-yl)methyl]naphthalen-2-amine

C17H21BrN2 — CID 81260551

IUPAC6-bromo-N-[(1-methylpiperidin-3-yl)methyl]naphthalen-2-amine
SMILESCN1CCCC(CNc2ccc3cc(Br)ccc3c2)C1
InChIInChI=1S/C17H21BrN2/c1-20-8-2-3-13(12-20)11-19-17-7-5-14-9-16(18)6-4-15(14)10-17/h4-7,9-10,13,19H,2-3,8,11-12H2,1H3
InChIKeyRJCYKMXTGGVJAO-UHFFFAOYSA-N
MW333.27 g/mol
LogP4.36
Rot. Bonds3

About 6-bromo-N-[(1-methylpiperidin-3-yl)methyl]naphthalen-2-amine

6-bromo-N-[(1-methylpiperidin-3-yl)methyl]naphthalen-2-amine (PubChem CID 81260551) has the molecular formula C17H21BrN2 and a molecular weight of 333.27 g/mol. Its IUPAC name is 6-bromo-N-[(1-methylpiperidin-3-yl)methyl]naphthalen-2-amine.

Molecular Properties

Compound Name6-bromo-N-[(1-methylpiperidin-3-yl)methyl]naphthalen-2-amine
PubChem CID81260551
Molecular FormulaC17H21BrN2
Molecular Weight333.27 g/mol
Exact Mass332.09
IUPAC Name6-bromo-N-[(1-methylpiperidin-3-yl)methyl]naphthalen-2-amine
SMILESCN1CCCC(CNc2ccc3cc(Br)ccc3c2)C1
InChIInChI=1S/C17H21BrN2/c1-20-8-2-3-13(12-20)11-19-17-7-5-14-9-16(18)6-4-15(14)10-17/h4-7,9-10,13,19H,2-3,8,11-12H2,1H3
InChIKeyRJCYKMXTGGVJAO-UHFFFAOYSA-N
XLogP4.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-N-[(3-methylcyclohexyl)methyl]naphthalen-2-amine
CID 81260489
5-bromo-2-fluoro-N-[(1-methylpiperidin-3-yl)methyl]aniline
CID 62654177
2-fluoro-4-[(1-methylpiperidin-3-yl)methylamino]phenol
CID 64780913
N-[(1-methylpiperidin-3-yl)methyl]quinoxalin-6-amine
CID 55100756
3-bromo-N-[(1-methylpiperidin-3-yl)methyl]-4-(trifluoromethoxy)aniline
CID 107335835
2-methyl-N-[(1-methylpiperidin-3-yl)methyl]-1,3-benzoxazol-5-amine
CID 62656149
3-chloro-4-methoxy-N-[(1-methylpiperidin-3-yl)methyl]aniline
CID 55100033
2-methyl-4-[(1-methylpiperidin-3-yl)methylamino]benzonitrile
CID 81273459
2-fluoro-4-[(1-methylpiperidin-3-yl)methylamino]benzonitrile
CID 113295642
N-[(1-methylpiperidin-3-yl)methyl]-4-(pyrrolidin-1-ylmethyl)aniline
CID 62655999
[4-[(1-methylpiperidin-3-yl)methylamino]phenyl]methanesulfonamide
CID 62657533
2-methyl-4-[(1-methylpiperidin-3-yl)methylamino]benzenecarbothioamide
CID 81276733

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(1-methylpiperidin-3-yl)methyl]naphthalen-2-amine?
The IUPAC name of 6-bromo-N-[(1-methylpiperidin-3-yl)methyl]naphthalen-2-amine (CID 81260551) is 6-bromo-N-[(1-methylpiperidin-3-yl)methyl]naphthalen-2-amine.
What is the SMILES notation for 6-bromo-N-[(1-methylpiperidin-3-yl)methyl]naphthalen-2-amine?
The canonical SMILES for 6-bromo-N-[(1-methylpiperidin-3-yl)methyl]naphthalen-2-amine is CN1CCCC(CNc2ccc3cc(Br)ccc3c2)C1.
What is the InChIKey of 6-bromo-N-[(1-methylpiperidin-3-yl)methyl]naphthalen-2-amine?
The InChIKey is RJCYKMXTGGVJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2/c1-20-8-2-3-13(12-20)11-19-17-7-5-14-9-16(18)6-4-15(14)10-17/h4-7,9-10,13,19H,2-3,8,11-12H2,1H3.
What are the key properties of 6-bromo-N-[(1-methylpiperidin-3-yl)methyl]naphthalen-2-amine?
6-bromo-N-[(1-methylpiperidin-3-yl)methyl]naphthalen-2-amine has a molecular weight of 333.27 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(1-methylpiperidin-3-yl)methyl]naphthalen-2-amine is sourced from PubChem (CID 81260551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).