2-(aminomethyl)-N-(2-bromophenyl)-3,4-dihydro-1H-naphthalen-2-amine

C17H19BrN2 — CID 65383215

IUPAC2-(aminomethyl)-N-(2-bromophenyl)-3,4-dihydro-1H-naphthalen-2-amine
SMILESNCC1(Nc2ccccc2Br)CCc2ccccc2C1
InChIInChI=1S/C17H19BrN2/c18-15-7-3-4-8-16(15)20-17(12-19)10-9-13-5-1-2-6-14(13)11-17/h1-8,20H,9-12,19H2
InChIKeyUROMRROBIHRPGU-UHFFFAOYSA-N
MW331.26 g/mol
LogP3.75
Rot. Bonds3

About 2-(aminomethyl)-N-(2-bromophenyl)-3,4-dihydro-1H-naphthalen-2-amine

2-(aminomethyl)-N-(2-bromophenyl)-3,4-dihydro-1H-naphthalen-2-amine (PubChem CID 65383215) has the molecular formula C17H19BrN2 and a molecular weight of 331.26 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-bromophenyl)-3,4-dihydro-1H-naphthalen-2-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-bromophenyl)-3,4-dihydro-1H-naphthalen-2-amine
PubChem CID65383215
Molecular FormulaC17H19BrN2
Molecular Weight331.26 g/mol
Exact Mass330.07
IUPAC Name2-(aminomethyl)-N-(2-bromophenyl)-3,4-dihydro-1H-naphthalen-2-amine
SMILESNCC1(Nc2ccccc2Br)CCc2ccccc2C1
InChIInChI=1S/C17H19BrN2/c18-15-7-3-4-8-16(15)20-17(12-19)10-9-13-5-1-2-6-14(13)11-17/h1-8,20H,9-12,19H2
InChIKeyUROMRROBIHRPGU-UHFFFAOYSA-N
XLogP3.75
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.26
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-bromophenyl)-3,4-dihydro-1H-naphthalen-2-amine?
The IUPAC name of 2-(aminomethyl)-N-(2-bromophenyl)-3,4-dihydro-1H-naphthalen-2-amine (CID 65383215) is 2-(aminomethyl)-N-(2-bromophenyl)-3,4-dihydro-1H-naphthalen-2-amine.
What is the SMILES notation for 2-(aminomethyl)-N-(2-bromophenyl)-3,4-dihydro-1H-naphthalen-2-amine?
The canonical SMILES for 2-(aminomethyl)-N-(2-bromophenyl)-3,4-dihydro-1H-naphthalen-2-amine is NCC1(Nc2ccccc2Br)CCc2ccccc2C1.
What is the InChIKey of 2-(aminomethyl)-N-(2-bromophenyl)-3,4-dihydro-1H-naphthalen-2-amine?
The InChIKey is UROMRROBIHRPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2/c18-15-7-3-4-8-16(15)20-17(12-19)10-9-13-5-1-2-6-14(13)11-17/h1-8,20H,9-12,19H2.
What are the key properties of 2-(aminomethyl)-N-(2-bromophenyl)-3,4-dihydro-1H-naphthalen-2-amine?
2-(aminomethyl)-N-(2-bromophenyl)-3,4-dihydro-1H-naphthalen-2-amine has a molecular weight of 331.26 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-bromophenyl)-3,4-dihydro-1H-naphthalen-2-amine is sourced from PubChem (CID 65383215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).