2-(aminomethyl)-6-bromo-N-(furan-3-ylmethyl)-N-methyl-3,4-dihydro-1H-naphthalen-2-amine

C17H21BrN2O — CID 63631153

IUPAC2-(aminomethyl)-6-bromo-N-(furan-3-ylmethyl)-N-methyl-3,4-dihydro-1H-naphthalen-2-amine
SMILESCN(Cc1ccoc1)C1(CN)CCc2cc(Br)ccc2C1
InChIInChI=1S/C17H21BrN2O/c1-20(10-13-5-7-21-11-13)17(12-19)6-4-14-8-16(18)3-2-15(14)9-17/h2-3,5,7-8,11H,4,6,9-10,12,19H2,1H3
InChIKeyBAVGNLXCNWURTH-UHFFFAOYSA-N
MW349.27 g/mol
LogP3.36
Rot. Bonds4

About 2-(aminomethyl)-6-bromo-N-(furan-3-ylmethyl)-N-methyl-3,4-dihydro-1H-naphthalen-2-amine

2-(aminomethyl)-6-bromo-N-(furan-3-ylmethyl)-N-methyl-3,4-dihydro-1H-naphthalen-2-amine (PubChem CID 63631153) has the molecular formula C17H21BrN2O and a molecular weight of 349.27 g/mol. Its IUPAC name is 2-(aminomethyl)-6-bromo-N-(furan-3-ylmethyl)-N-methyl-3,4-dihydro-1H-naphthalen-2-amine.

Molecular Properties

Compound Name2-(aminomethyl)-6-bromo-N-(furan-3-ylmethyl)-N-methyl-3,4-dihydro-1H-naphthalen-2-amine
PubChem CID63631153
Molecular FormulaC17H21BrN2O
Molecular Weight349.27 g/mol
Exact Mass348.08
IUPAC Name2-(aminomethyl)-6-bromo-N-(furan-3-ylmethyl)-N-methyl-3,4-dihydro-1H-naphthalen-2-amine
SMILESCN(Cc1ccoc1)C1(CN)CCc2cc(Br)ccc2C1
InChIInChI=1S/C17H21BrN2O/c1-20(10-13-5-7-21-11-13)17(12-19)6-4-14-8-16(18)3-2-15(14)9-17/h2-3,5,7-8,11H,4,6,9-10,12,19H2,1H3
InChIKeyBAVGNLXCNWURTH-UHFFFAOYSA-N
XLogP3.36
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-6-bromo-N-(cyclopropylmethyl)-N-methyl-3,4-dihydro-1H-naphthalen-2-amine
CID 63632717
1-(aminomethyl)-N-(furan-3-ylmethyl)-N-methylcyclooctan-1-amine
CID 61422834
2-(aminomethyl)-6-bromo-N-ethyl-N-propyl-3,4-dihydro-1H-naphthalen-2-amine
CID 63632200
4-(aminomethyl)-N-(furan-3-ylmethyl)-N-methyloxepan-4-amine
CID 65079500
2-(aminomethyl)-N-[(4-bromophenyl)methyl]-N-methyl-1,3-dihydroinden-2-amine
CID 61415914
2-(aminomethyl)-N-[(3-bromophenyl)methyl]-N-methyl-1,3-dihydroinden-2-amine
CID 61415233
1-(aminomethyl)-4-tert-butyl-N-(furan-3-ylmethyl)-N-methylcyclohexan-1-amine
CID 61422884
2-(aminomethyl)-6-bromo-N-ethyl-N-(2-methylbutyl)-3,4-dihydro-1H-naphthalen-2-amine
CID 79481522
2-[6-bromo-2-(dimethylamino)-3,4-dihydro-1H-naphthalen-2-yl]acetic acid
CID 64527960
1-(aminomethyl)-N-[(4-bromophenyl)methyl]-N-methylcyclobutan-1-amine
CID 79521426
2-[1-[furan-3-ylmethyl(methyl)amino]cyclohexyl]acetic acid
CID 65240642
2-(2-aminoethyl)-5-bromo-N-(furan-3-ylmethyl)-N-methylaniline
CID 63786210

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-6-bromo-N-(furan-3-ylmethyl)-N-methyl-3,4-dihydro-1H-naphthalen-2-amine?
The IUPAC name of 2-(aminomethyl)-6-bromo-N-(furan-3-ylmethyl)-N-methyl-3,4-dihydro-1H-naphthalen-2-amine (CID 63631153) is 2-(aminomethyl)-6-bromo-N-(furan-3-ylmethyl)-N-methyl-3,4-dihydro-1H-naphthalen-2-amine.
What is the SMILES notation for 2-(aminomethyl)-6-bromo-N-(furan-3-ylmethyl)-N-methyl-3,4-dihydro-1H-naphthalen-2-amine?
The canonical SMILES for 2-(aminomethyl)-6-bromo-N-(furan-3-ylmethyl)-N-methyl-3,4-dihydro-1H-naphthalen-2-amine is CN(Cc1ccoc1)C1(CN)CCc2cc(Br)ccc2C1.
What is the InChIKey of 2-(aminomethyl)-6-bromo-N-(furan-3-ylmethyl)-N-methyl-3,4-dihydro-1H-naphthalen-2-amine?
The InChIKey is BAVGNLXCNWURTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O/c1-20(10-13-5-7-21-11-13)17(12-19)6-4-14-8-16(18)3-2-15(14)9-17/h2-3,5,7-8,11H,4,6,9-10,12,19H2,1H3.
What are the key properties of 2-(aminomethyl)-6-bromo-N-(furan-3-ylmethyl)-N-methyl-3,4-dihydro-1H-naphthalen-2-amine?
2-(aminomethyl)-6-bromo-N-(furan-3-ylmethyl)-N-methyl-3,4-dihydro-1H-naphthalen-2-amine has a molecular weight of 349.27 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-6-bromo-N-(furan-3-ylmethyl)-N-methyl-3,4-dihydro-1H-naphthalen-2-amine is sourced from PubChem (CID 63631153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).