2-(aminomethyl)-6-bromo-N-prop-2-enyl-3,4-dihydro-1H-naphthalen-2-amine

C14H19BrN2 — CID 65385569

IUPAC2-(aminomethyl)-6-bromo-N-prop-2-enyl-3,4-dihydro-1H-naphthalen-2-amine
SMILESC=CCNC1(CN)CCc2cc(Br)ccc2C1
InChIInChI=1S/C14H19BrN2/c1-2-7-17-14(10-16)6-5-11-8-13(15)4-3-12(11)9-14/h2-4,8,17H,1,5-7,9-10,16H2
InChIKeyGHMOMFYLICIBMP-UHFFFAOYSA-N
MW295.22 g/mol
LogP2.41
Rot. Bonds4

About 2-(aminomethyl)-6-bromo-N-prop-2-enyl-3,4-dihydro-1H-naphthalen-2-amine

2-(aminomethyl)-6-bromo-N-prop-2-enyl-3,4-dihydro-1H-naphthalen-2-amine (PubChem CID 65385569) has the molecular formula C14H19BrN2 and a molecular weight of 295.22 g/mol. Its IUPAC name is 2-(aminomethyl)-6-bromo-N-prop-2-enyl-3,4-dihydro-1H-naphthalen-2-amine.

Molecular Properties

Compound Name2-(aminomethyl)-6-bromo-N-prop-2-enyl-3,4-dihydro-1H-naphthalen-2-amine
PubChem CID65385569
Molecular FormulaC14H19BrN2
Molecular Weight295.22 g/mol
Exact Mass294.07
IUPAC Name2-(aminomethyl)-6-bromo-N-prop-2-enyl-3,4-dihydro-1H-naphthalen-2-amine
SMILESC=CCNC1(CN)CCc2cc(Br)ccc2C1
InChIInChI=1S/C14H19BrN2/c1-2-7-17-14(10-16)6-5-11-8-13(15)4-3-12(11)9-14/h2-4,8,17H,1,5-7,9-10,16H2
InChIKeyGHMOMFYLICIBMP-UHFFFAOYSA-N
XLogP2.41
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-6-bromo-N-prop-2-enyl-3,4-dihydro-1H-naphthalen-2-amine?
The IUPAC name of 2-(aminomethyl)-6-bromo-N-prop-2-enyl-3,4-dihydro-1H-naphthalen-2-amine (CID 65385569) is 2-(aminomethyl)-6-bromo-N-prop-2-enyl-3,4-dihydro-1H-naphthalen-2-amine.
What is the SMILES notation for 2-(aminomethyl)-6-bromo-N-prop-2-enyl-3,4-dihydro-1H-naphthalen-2-amine?
The canonical SMILES for 2-(aminomethyl)-6-bromo-N-prop-2-enyl-3,4-dihydro-1H-naphthalen-2-amine is C=CCNC1(CN)CCc2cc(Br)ccc2C1.
What is the InChIKey of 2-(aminomethyl)-6-bromo-N-prop-2-enyl-3,4-dihydro-1H-naphthalen-2-amine?
The InChIKey is GHMOMFYLICIBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2/c1-2-7-17-14(10-16)6-5-11-8-13(15)4-3-12(11)9-14/h2-4,8,17H,1,5-7,9-10,16H2.
What are the key properties of 2-(aminomethyl)-6-bromo-N-prop-2-enyl-3,4-dihydro-1H-naphthalen-2-amine?
2-(aminomethyl)-6-bromo-N-prop-2-enyl-3,4-dihydro-1H-naphthalen-2-amine has a molecular weight of 295.22 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-6-bromo-N-prop-2-enyl-3,4-dihydro-1H-naphthalen-2-amine is sourced from PubChem (CID 65385569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).